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

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

Formula: C20H18N2O4S

SMILES: COCCN1C(=O)C(SC1=N/C1=CC=CC=C1)=CC1=CC=C(C=C1)C(O)=O

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

InChI: InChI=1S/C20H18N2O4S/c1-26-12-11-22-18(23)17(13-14-7-9-15(10-8-14)19(24)25)27-20(22)21-16-5-3-2-4-6-16/h2-10,13H,11-12H2,1H3,(H,24,25)/b17-13-,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	WMLOFKAZEWIKDX-GERRWAMXSA-N
Lipinski's Rule of Five	1
Molar Refractivity	108.16
Topological Polar Surface Area	79.2
Polarizability	39.88
Ring Count	3
Rotatable Bond Count	6

Suppliers

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