[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] (2R)-3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] (2R)-3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] (2R)-3-methyl-2-(thiophene-2-carbonylamino)butanoate CAS Name: (2R)-3-methyl-2-[[oxo(thiophen-2-yl)methyl]amino]butanoic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] (2R)-3-methyl-2-(thiophene-2-carbonylamino)butanoate Traditional Name: (2R)-3-methyl-2-(2-thenoylamino)butyric acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC1=CC=CC(=C1)C#N)NC(=O)C2=CC=CS2

Isomeric SMILES

CC(C)[C@H](C(=O)OCC(=O)NC1=CC=CC(=C1)C#N)NC(=O)C2=CC=CS2

InChI

InChI=1S/C19H19N3O4S/c1-12(2)17(22-18(24)15-7-4-8-27-15)19(25)26-11-16(23)21-14-6-3-5-13(9-14)10-20/h3-9,12,17H,11H2,1-2H3,(H,21,23)(H,22,24)/t17-/m1/s1