[(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 5-methyl-4-propyl-thiophene-2-carboxylate

Systemtic Name: [(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 5-methyl-4-propyl-thiophene-2-carboxylate Openeye Name: [(1R)-2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 5-methyl-4-propyl-thiophene-2-carboxylate CAS Name: 5-methyl-4-propyl-2-thiophenecarboxylic acid [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 5-methyl-4-propylthiophene-2-carboxylate Traditional Name: 5-methyl-4-propyl-thiophene-2-carboxylic acid [(1R)-2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C19H20N2O3S MolecularWeight: 356.4387

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(SC(=C1)C(=O)OC(C)C(=O)NC2=CC=CC(=C2)C#N)C

Isomeric SMILES

CCCC1=C(SC(=C1)C(=O)O[C@H](C)C(=O)NC2=CC=CC(=C2)C#N)C

InChI

InChI=1S/C19H20N2O3S/c1-4-6-15-10-17(25-13(15)3)19(23)24-12(2)18(22)21-16-8-5-7-14(9-16)11-20/h5,7-10,12H,4,6H2,1-3H3,(H,21,22)/t12-/m1/s1