[2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] 2-benzamido-4-methylsulfanyl-butanoate

Systemtic Name: [2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] 2-benzamido-4-methylsulfanyl-butanoate Openeye Name: [2-(3-chloro-4-methoxy-anilino)-2-oxo-ethyl] 2-benzamido-4-methylsulfanyl-butanoate CAS Name: 2-benzamido-4-(methylthio)butanoic acid [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate Traditional Name: 2-benzamido-4-(methylthio)butyric acid [2-(3-chloro-4-methoxy-anilino)-2-keto-ethyl] ester Formula: C21H23ClN2O5S MolecularWeight: 450.93572

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)COC(=O)C(CCSC)NC(=O)C2=CC=CC=C2)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)COC(=O)C(CCSC)NC(=O)C2=CC=CC=C2)Cl

InChI

InChI=1S/C21H23ClN2O5S/c1-28-18-9-8-15(12-16(18)22)23-19(25)13-29-21(27)17(10-11-30-2)24-20(26)14-6-4-3-5-7-14/h3-9,12,17H,10-11,13H2,1-2H3,(H,23,25)(H,24,26)