[2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)thiophene-2-carboxylate

Systemtic Name: [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)thiophene-2-carboxylate Openeye Name: [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl] 3-(p-tolyl)thiophene-2-carboxylate CAS Name: 3-(4-methylphenyl)-2-thiophenecarboxylic acid [2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 3-(4-methylphenyl)thiophene-2-carboxylate Traditional Name: 3-(p-tolyl)thiophene-2-carboxylic acid [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl] ester Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC=C2)C(=O)OCC(=O)NC(C)(C#N)C3CC3

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC=C2)C(=O)OCC(=O)N[C@](C)(C#N)C3CC3

InChI

InChI=1S/C20H20N2O3S/c1-13-3-5-14(6-4-13)16-9-10-26-18(16)19(24)25-11-17(23)22-20(2,12-21)15-7-8-15/h3-6,9-10,15H,7-8,11H2,1-2H3,(H,22,23)/t20-/m1/s1