methyl 4-[[4-chloranyl-3-(thiophen-2-ylcarbonylamino)phenyl]carbonyl-methyl-amino]butanoate

Systemtic Name: methyl 4-[[4-chloranyl-3-(thiophen-2-ylcarbonylamino)phenyl]carbonyl-methyl-amino]butanoate Openeye Name: methyl 4-[[4-chloro-3-(thiophene-2-carbonylamino)benzoyl]-methyl-amino]butanoate CAS Name: 4-[[[4-chloro-3-[[oxo(thiophen-2-yl)methyl]amino]phenyl]-oxomethyl]-methylamino]butanoic acid methyl ester IUPAC Name: methyl 4-[[4-chloro-3-(thiophene-2-carbonylamino)benzoyl]-methylamino]butanoate Traditional Name: 4-[[4-chloro-3-(2-thenoylamino)benzoyl]-methyl-amino]butyric acid methyl ester Formula: C18H19ClN2O4S MolecularWeight: 394.87246

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)OC)C(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2=CC=CS2

Isomeric SMILES

CN(CCCC(=O)OC)C(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2=CC=CS2

InChI

InChI=1S/C18H19ClN2O4S/c1-21(9-3-6-16(22)25-2)18(24)12-7-8-13(19)14(11-12)20-17(23)15-5-4-10-26-15/h4-5,7-8,10-11H,3,6,9H2,1-2H3,(H,20,23)