[1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 1-phenylcyclopentane-1-carboxylate

Systemtic Name: [1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 1-phenylcyclopentane-1-carboxylate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-1-methyl-2-oxo-ethyl] 1-phenylcyclopentanecarboxylate CAS Name: 1-phenyl-1-cyclopentanecarboxylic acid [1-[(3-cyano-2-thiophenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] 1-phenylcyclopentane-1-carboxylate Traditional Name: 1-phenylcyclopentanecarboxylic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C#N)OC(=O)C2(CCCC2)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=C(C=CS1)C#N)OC(=O)C2(CCCC2)C3=CC=CC=C3

InChI

InChI=1S/C20H20N2O3S/c1-14(17(23)22-18-15(13-21)9-12-26-18)25-19(24)20(10-5-6-11-20)16-7-3-2-4-8-16/h2-4,7-9,12,14H,5-6,10-11H2,1H3,(H,22,23)