2-(2-methoxy-4-{[(5Z)-4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenoxy)propanoic acid

2-(2-methoxy-4-{[(5Z)-4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenoxy)propanoic acid

Formula: C20H17NO5S2

SMILES: COC1=CC(C=C2/SC(=S)N(C2=O)C2=CC=CC=C2)=CC=C1OC(C)C(O)=O

IUPAC: 2-(2-methoxy-4-{[(5Z)-4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenoxy)propanoic acid

InChI: InChI=1/C20H17NO5S2/c1-12(19(23)24)26-15-9-8-13(10-16(15)25-2)11-17-18(22)21(20(27)28-17)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,23,24)/b17-11-

Composition: C (57.82%), H (4.12%), N (3.37%), O (19.25%), S (15.43%)

Molar Mass: 415.48

Atom Count: 45

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	415.054814999
Formal Charge	0
FSP3	0.15
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	XOFMBPFRUANQLW-BOPFTXTBNA-N
Lipinski's Rule of Five	1
Molar Refractivity	112.39
Topological Polar Surface Area	76.07
Polarizability	43.3
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H17NO5S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00