[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] (3R)-3-phenylbutanoate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] (3R)-3-phenylbutanoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] (3R)-3-phenylbutanoate CAS Name: (3R)-3-phenylbutanoic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] (3R)-3-phenylbutanoate Traditional Name: (3R)-3-phenylbutyric acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OCC(=O)NC1=C(C=CS1)C#N)C2=CC=CC=C2

Isomeric SMILES

C[C@H](CC(=O)OCC(=O)NC1=C(C=CS1)C#N)C2=CC=CC=C2

InChI

InChI=1S/C17H16N2O3S/c1-12(13-5-3-2-4-6-13)9-16(21)22-11-15(20)19-17-14(10-18)7-8-23-17/h2-8,12H,9,11H2,1H3,(H,19,20)/t12-/m1/s1