4-(2-{[(2E,5Z)-3-methyl-2-(methylimino)-4-oxo-1,3-thiazolidin-5-ylidene]methyl}phenoxymethyl)benzoic acid

4-(2-{[(2E,5Z)-3-methyl-2-(methylimino)-4-oxo-1,3-thiazolidin-5-ylidene]methyl}phenoxymethyl)benzoic acid

Formula: C20H18N2O4S

SMILES: CN=C1SC(=C/C2=CC=CC=C2OCC2=CC=C(C=C2)C(O)=O)C(=O)N1C

IUPAC: 4-[(2-{[(2E,5Z)-3-methyl-2-(methylimino)-4-oxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzoic acid

InChI: InChI=1S/C20H18N2O4S/c1-21-20-22(2)18(23)17(27-20)11-15-5-3-4-6-16(15)26-12-13-7-9-14(10-8-13)19(24)25/h3-11H,12H2,1-2H3,(H,24,25)/b17-11-,21-20+

Composition: C (62.81%), H (4.74%), N (7.33%), O (16.73%), S (8.38%)

Molar Mass: 382.43

Atom Count: 45

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	382.098728242
Formal Charge	0
FSP3	0.15
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	FLFAOQAREDOCMY-YBLIXAOFSA-N
Lipinski's Rule of Five	1
Molar Refractivity	106.4
Topological Polar Surface Area	79.2
Polarizability	39.88
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H18N2O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00