[2-[(9-ethylcarbazol-3-yl)amino]-2-oxidanylidene-ethyl] 2-[(4-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [2-[(9-ethylcarbazol-3-yl)amino]-2-oxidanylidene-ethyl] 2-[(4-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-[(9-ethylcarbazol-3-yl)amino]-2-oxo-ethyl] 2-[(4-chlorobenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(4-chlorophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [2-[(9-ethyl-3-carbazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(4-chlorobenzoyl)amino]-4-(methylthio)butyric acid [2-[(9-ethylcarbazol-3-yl)amino]-2-keto-ethyl] ester Formula: C28H28ClN3O4S MolecularWeight: 538.05762

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)COC(=O)C(CCSC)NC(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C41

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)COC(=O)C(CCSC)NC(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C41

InChI

InChI=1S/C28H28ClN3O4S/c1-3-32-24-7-5-4-6-21(24)22-16-20(12-13-25(22)32)30-26(33)17-36-28(35)23(14-15-37-2)31-27(34)18-8-10-19(29)11-9-18/h4-13,16,23H,3,14-15,17H2,1-2H3,(H,30,33)(H,31,34)