[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 4-chloranyl-2-(thiophen-2-ylcarbonylamino)benzoate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 4-chloranyl-2-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 4-chloro-2-(thiophene-2-carbonylamino)benzoate CAS Name: 4-chloro-2-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 4-chloro-2-(thiophene-2-carbonylamino)benzoate Traditional Name: 4-chloro-2-(2-thenoylamino)benzoic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C19H21ClN2O4S MolecularWeight: 408.89904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN2O4S/c1-12(2)7-8-21-17(23)11-26-19(25)14-6-5-13(20)10-15(14)22-18(24)16-4-3-9-27-16/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,21,23)(H,22,24)