[2-[(4-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 4-(thiophen-3-ylcarbonylamino)butanoate

Systemtic Name: [2-[(4-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 4-(thiophen-3-ylcarbonylamino)butanoate Openeye Name: [2-[(4-chlorophenyl)methylamino]-2-oxo-ethyl] 4-(thiophene-3-carbonylamino)butanoate CAS Name: 4-[[oxo(3-thiophenyl)methyl]amino]butanoic acid [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 4-(thiophene-3-carbonylamino)butanoate Traditional Name: 4-(3-thenoylamino)butyric acid [2-[(4-chlorobenzyl)amino]-2-keto-ethyl] ester Formula: C18H19ClN2O4S MolecularWeight: 394.87246

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)COC(=O)CCCNC(=O)C2=CSC=C2)Cl

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)COC(=O)CCCNC(=O)C2=CSC=C2)Cl

InChI

InChI=1S/C18H19ClN2O4S/c19-15-5-3-13(4-6-15)10-21-16(22)11-25-17(23)2-1-8-20-18(24)14-7-9-26-12-14/h3-7,9,12H,1-2,8,10-11H2,(H,20,24)(H,21,22)