2-[2-[(4-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-4-phenyl-butanoic acid

Systemtic Name: 2-[2-[(4-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-4-phenyl-butanoic acid Openeye Name: 2-[2-(4-ethoxycarbonylanilino)-2-oxo-ethyl]sulfanyl-4-oxo-4-phenyl-butanoic acid CAS Name: 2-[[2-(4-ethoxycarbonylanilino)-2-oxoethyl]thio]-4-oxo-4-phenylbutanoic acid IUPAC Name: 2-[2-(4-ethoxycarbonylanilino)-2-oxoethyl]sulfanyl-4-oxo-4-phenylbutanoic acid Traditional Name: 2-[[2-(4-carbethoxyanilino)-2-keto-ethyl]thio]-4-keto-4-phenyl-butyric acid Formula: C21H21NO6S MolecularWeight: 415.45954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC(CC(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC(CC(=O)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C21H21NO6S/c1-2-28-21(27)15-8-10-16(11-9-15)22-19(24)13-29-18(20(25)26)12-17(23)14-6-4-3-5-7-14/h3-11,18H,2,12-13H2,1H3,(H,22,24)(H,25,26)