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

Systemtic Name: [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] (2R)-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl] (2R)-2-hydroxy-2-phenyl-acetate CAS Name: (2R)-2-hydroxy-2-phenylacetic 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] (2R)-2-hydroxy-2-phenylacetate Traditional Name: (2R)-2-hydroxy-2-phenyl-acetic acid [2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl] ester Formula: C19H18N2O4S MolecularWeight: 370.42222

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)COC(=O)C(C3=CC=CC=C3)O)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)COC(=O)[C@@H](C3=CC=CC=C3)O)C#N

InChI

InChI=1S/C19H18N2O4S/c20-10-14-13-8-4-5-9-15(13)26-18(14)21-16(22)11-25-19(24)17(23)12-6-2-1-3-7-12/h1-3,6-7,17,23H,4-5,8-9,11H2,(H,21,22)/t17-/m1/s1