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

Systemtic Name: [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] (2R)-2-phenoxypropanoate Openeye Name: [2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl] (2R)-2-phenoxypropanoate CAS Name: (2R)-2-phenoxypropanoic 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-phenoxypropanoate Traditional Name: (2R)-2-phenoxypropionic acid [2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl] ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC1=C(C2=C(S1)CCCC2)C#N)OC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)OCC(=O)NC1=C(C2=C(S1)CCCC2)C#N)OC3=CC=CC=C3

InChI

InChI=1S/C20H20N2O4S/c1-13(26-14-7-3-2-4-8-14)20(24)25-12-18(23)22-19-16(11-21)15-9-5-6-10-17(15)27-19/h2-4,7-8,13H,5-6,9-10,12H2,1H3,(H,22,23)/t13-/m1/s1