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

Systemtic Name: [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] pyridine-3-carboxylate Openeye Name: [2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl] pyridine-3-carboxylate CAS Name: 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] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl] ester Formula: C17H15N3O3S MolecularWeight: 341.3843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O3S/c18-8-13-12-5-1-2-6-14(12)24-16(13)20-15(21)10-23-17(22)11-4-3-7-19-9-11/h3-4,7,9H,1-2,5-6,10H2,(H,20,21)