[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 2-[(4-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 2-[(4-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] 2-[(4-chlorobenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(4-chlorophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(4-chlorobenzoyl)amino]-4-(methylthio)butyric acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C21H21ClN2O6S MolecularWeight: 464.91924

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC(=O)NC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CSCCC(C(=O)OCC(=O)NC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H21ClN2O6S/c1-31-9-8-16(24-20(26)13-2-4-14(22)5-3-13)21(27)28-11-19(25)23-15-6-7-17-18(10-15)30-12-29-17/h2-7,10,16H,8-9,11-12H2,1H3,(H,23,25)(H,24,26)