4-(2-{[(5E)-3-(2-methoxy-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxymethyl)benzoic acid

4-(2-{[(5E)-3-(2-methoxy-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxymethyl)benzoic acid

Formula: C21H17NO7S

SMILES: COC(=O)CN1C(=O)SC(=CC2=CC=CC=C2OCC2=CC=C(C=C2)C(O)=O)C1=O

IUPAC: 4-[(2-{[(5E)-3-(2-methoxy-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzoic acid

InChI: InChI=1S/C21H17NO7S/c1-28-18(23)11-22-19(24)17(30-21(22)27)10-15-4-2-3-5-16(15)29-12-13-6-8-14(9-7-13)20(25)26/h2-10H,11-12H2,1H3,(H,25,26)/b17-10+

Composition: C (59.01%), H (4.01%), N (3.28%), O (26.20%), S (7.50%)

Molar Mass: 427.43

Atom Count: 47

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	427.072573065
Formal Charge	0
FSP3	0.14
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	PLIWVYZLLYIYNJ-LICLKQGHSA-N
Lipinski's Rule of Five	1
Molar Refractivity	110.3
Topological Polar Surface Area	110.21
Polarizability	41.92
Ring Count	3
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H17NO7S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00