[2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxidanylidene-ethyl] pyridine-4-carboxylate

Systemtic Name: [2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxidanylidene-ethyl] pyridine-4-carboxylate Openeye Name: [2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxo-ethyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-keto-ethyl] ester Formula: C16H13N3O3S MolecularWeight: 327.35772

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)SC(=C2C#N)NC(=O)COC(=O)C3=CC=NC=C3

Isomeric SMILES

C1CC2=C(C1)SC(=C2C#N)NC(=O)COC(=O)C3=CC=NC=C3

InChI

InChI=1S/C16H13N3O3S/c17-8-12-11-2-1-3-13(11)23-15(12)19-14(20)9-22-16(21)10-4-6-18-7-5-10/h4-7H,1-3,9H2,(H,19,20)