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

Systemtic Name: [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate Openeye Name: [2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate CAS Name: 2-(1-pyrrolidinyl)-3-pyridinecarboxylic 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] 2-pyrrolidin-1-ylpyridine-3-carboxylate Traditional Name: 2-pyrrolidinonicotinic acid [2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl] ester Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)COC(=O)C3=C(N=CC=C3)N4CCCC4)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)COC(=O)C3=C(N=CC=C3)N4CCCC4)C#N

InChI

InChI=1S/C21H22N4O3S/c22-12-16-14-6-1-2-8-17(14)29-20(16)24-18(26)13-28-21(27)15-7-5-9-23-19(15)25-10-3-4-11-25/h5,7,9H,1-4,6,8,10-11,13H2,(H,24,26)