[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] (3R)-3-phenylbutanoate

Systemtic Name: [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] (3R)-3-phenylbutanoate Openeye Name: [2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl] (3R)-3-phenylbutanoate CAS Name: (3R)-3-phenylbutanoic acid [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] (3R)-3-phenylbutanoate Traditional Name: (3R)-3-phenylbutyric acid [2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl] ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OCC(=O)NC1=C(C2=C(S1)CCCC2)C#N)C3=CC=CC=C3

Isomeric SMILES

C[C@H](CC(=O)OCC(=O)NC1=C(C2=C(S1)CCCC2)C#N)C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O3S/c1-14(15-7-3-2-4-8-15)11-20(25)26-13-19(24)23-21-17(12-22)16-9-5-6-10-18(16)27-21/h2-4,7-8,14H,5-6,9-11,13H2,1H3,(H,23,24)/t14-/m1/s1