dimethyl 5-azanyl-3-[4-[(4-chlorophenyl)carbonylamino]butanoyloxymethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[4-[(4-chlorophenyl)carbonylamino]butanoyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[4-[(4-chlorobenzoyl)amino]butanoyloxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[4-[[(4-chlorophenyl)-oxomethyl]amino]-1-oxobutoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[4-[(4-chlorobenzoyl)amino]butanoyloxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[4-[(4-chlorobenzoyl)amino]butanoyloxymethyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C20H21ClN2O7S MolecularWeight: 468.90794

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1COC(=O)CCCNC(=O)C2=CC=C(C=C2)Cl)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1COC(=O)CCCNC(=O)C2=CC=C(C=C2)Cl)C(=O)OC)N

InChI

InChI=1S/C20H21ClN2O7S/c1-28-19(26)15-13(16(20(27)29-2)31-17(15)22)10-30-14(24)4-3-9-23-18(25)11-5-7-12(21)8-6-11/h5-8H,3-4,9-10,22H2,1-2H3,(H,23,25)