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

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 4-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 4-(thiophene-2-carbonylamino)benzoate CAS Name: 4-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 4-(thiophene-2-carbonylamino)benzoate Traditional Name: 4-(2-thenoylamino)benzoic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C19H22N2O4S MolecularWeight: 374.45398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O4S/c1-13(2)9-10-20-17(22)12-25-19(24)14-5-7-15(8-6-14)21-18(23)16-4-3-11-26-16/h3-8,11,13H,9-10,12H2,1-2H3,(H,20,22)(H,21,23)