methyl 4-chloranyl-3-[4-(thiophen-2-ylcarbonylamino)butanoylamino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[4-(thiophen-2-ylcarbonylamino)butanoylamino]benzoate Openeye Name: methyl 4-chloro-3-[4-(thiophene-2-carbonylamino)butanoylamino]benzoate CAS Name: 4-chloro-3-[[1-oxo-4-[[oxo(thiophen-2-yl)methyl]amino]butyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[4-(thiophene-2-carbonylamino)butanoylamino]benzoate Traditional Name: 4-chloro-3-[4-(2-thenoylamino)butanoylamino]benzoic acid methyl ester Formula: C17H17ClN2O4S MolecularWeight: 380.84588

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CCCNC(=O)C2=CC=CS2

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CCCNC(=O)C2=CC=CS2

InChI

InChI=1S/C17H17ClN2O4S/c1-24-17(23)11-6-7-12(18)13(10-11)20-15(21)5-2-8-19-16(22)14-4-3-9-25-14/h3-4,6-7,9-10H,2,5,8H2,1H3,(H,19,22)(H,20,21)