3-[(5Z)-5-({4-[(2-cyanophenyl)methoxy]-3-ethoxyphenyl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid

3-[(5Z)-5-({4-[(2-cyanophenyl)methoxy]-3-ethoxyphenyl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid

Formula: C27H20N2O5S2

SMILES: CCOC1=CC(C=C2/SC(=S)N(C2=O)C2=CC=CC(=C2)C(O)=O)=CC=C1OCC1=CC=CC=C1C#N

IUPAC: 3-[(5Z)-5-({4-[(2-cyanophenyl)methoxy]-3-ethoxyphenyl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid

InChI: InChI=1S/C27H20N2O5S2/c1-2-33-23-12-17(10-11-22(23)34-16-20-7-4-3-6-19(20)15-28)13-24-25(30)29(27(35)36-24)21-9-5-8-18(14-21)26(31)32/h3-14H,2,16H2,1H3,(H,31,32)/b24-13-

Composition: C (62.78%), H (3.90%), N (5.42%), O (15.49%), S (12.41%)

Molar Mass: 516.59

Atom Count: 56

Heavy Atom Count: 36

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	516.0813641
Formal Charge	0
FSP3	0.11
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	ZYQYOOUESJWXBG-CFRMEGHHSA-N
Lipinski's Rule of Five
Molar Refractivity	144.15
Topological Polar Surface Area	99.86
Polarizability	54.68
Ring Count	4
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H20N2O5S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00