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

Systemtic Name: [1-[(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] pyridine-3-carboxylate Openeye Name: [2-[(3-cyano-6-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-1-methyl-2-oxo-ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [1-[(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxopropan-2-yl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-[(3-cyano-6-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-1-methyl-ethyl] ester Formula: C24H21N3O3S MolecularWeight: 431.50684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C2=C(S1)CC(CC2)C3=CC=CC=C3)C#N)OC(=O)C4=CN=CC=C4

Isomeric SMILES

CC(C(=O)NC1=C(C2=C(S1)CC(CC2)C3=CC=CC=C3)C#N)OC(=O)C4=CN=CC=C4

InChI

InChI=1S/C24H21N3O3S/c1-15(30-24(29)18-8-5-11-26-14-18)22(28)27-23-20(13-25)19-10-9-17(12-21(19)31-23)16-6-3-2-4-7-16/h2-8,11,14-15,17H,9-10,12H2,1H3,(H,27,28)