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

Systemtic Name: [1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxidanylidene-butan-2-yl] pyridine-3-carboxylate Openeye Name: 1-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]propyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl] pyridine-3-carboxylate Traditional Name: nicotinic acid 1-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]propyl ester Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C#N)OC(=O)C3=CN=CC=C3

Isomeric SMILES

CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C#N)OC(=O)C3=CN=CC=C3

InChI

InChI=1S/C19H19N3O3S/c1-2-15(25-19(24)12-6-5-9-21-11-12)17(23)22-18-14(10-20)13-7-3-4-8-16(13)26-18/h5-6,9,11,15H,2-4,7-8H2,1H3,(H,22,23)