diethyl 5-azanyl-3-[[2-[(2-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoyl]oxymethyl]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-azanyl-3-[[2-[(2-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoyl]oxymethyl]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-amino-3-[[2-[(2-chlorobenzoyl)amino]-4-methylsulfanyl-butanoyl]oxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[2-[[(2-chlorophenyl)-oxomethyl]amino]-4-(methylthio)-1-oxobutoxy]methyl]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-amino-3-[[2-[(2-chlorobenzoyl)amino]-4-methylsulfanylbutanoyl]oxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[2-[(2-chlorobenzoyl)amino]-4-(methylthio)butanoyl]oxymethyl]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C23H27ClN2O7S2 MolecularWeight: 543.05268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1COC(=O)C(CCSC)NC(=O)C2=CC=CC=C2Cl)C(=O)OCC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1COC(=O)C(CCSC)NC(=O)C2=CC=CC=C2Cl)C(=O)OCC)N

InChI

InChI=1S/C23H27ClN2O7S2/c1-4-31-22(29)17-14(18(35-19(17)25)23(30)32-5-2)12-33-21(28)16(10-11-34-3)26-20(27)13-8-6-7-9-15(13)24/h6-9,16H,4-5,10-12,25H2,1-3H3,(H,26,27)