[3-cyano-2-(2-oxidanylidenepyrrolidin-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-6-yl] benzoate

Systemtic Name: [3-cyano-2-(2-oxidanylidenepyrrolidin-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-6-yl] benzoate Openeye Name: [3-cyano-2-(2-oxopyrrolidin-1-yl)-4,5,6,7-tetrahydrobenzothiophen-6-yl] benzoate CAS Name: benzoic acid [3-cyano-2-(2-oxo-1-pyrrolidinyl)-4,5,6,7-tetrahydro-1-benzothiophen-6-yl] ester IUPAC Name: [3-cyano-2-(2-oxopyrrolidin-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-6-yl] benzoate Traditional Name: benzoic acid [3-cyano-2-(2-ketopyrrolidino)-4,5,6,7-tetrahydrobenzothiophen-6-yl] ester Formula: C20H18N2O3S MolecularWeight: 366.43352

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=C(C3=C(S2)CC(CC3)OC(=O)C4=CC=CC=C4)C#N

Isomeric SMILES

C1CC(=O)N(C1)C2=C(C3=C(S2)CC(CC3)OC(=O)C4=CC=CC=C4)C#N

InChI

InChI=1S/C20H18N2O3S/c21-12-16-15-9-8-14(25-20(24)13-5-2-1-3-6-13)11-17(15)26-19(16)22-10-4-7-18(22)23/h1-3,5-6,14H,4,7-11H2