[(2-ethanoylimino-3-ethoxycarbonyl-5,6-dihydro-4H-1-benzothiophen-7-yl)amino] pyridine-3-carboxylate

Systemtic Name: [(2-ethanoylimino-3-ethoxycarbonyl-5,6-dihydro-4H-1-benzothiophen-7-yl)amino] pyridine-3-carboxylate Openeye Name: [(2-acetylimino-3-ethoxycarbonyl-5,6-dihydro-4H-benzothiophen-7-yl)amino] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [(2-acetylimino-3-ethoxycarbonyl-5,6-dihydro-4H-1-benzothiophen-7-yl)amino] ester IUPAC Name: [(2-acetylimino-3-ethoxycarbonyl-5,6-dihydro-4H-1-benzothiophen-7-yl)amino] pyridine-3-carboxylate Traditional Name: nicotinic acid [(2-acetylimino-3-carbethoxy-5,6-dihydro-4H-benzothiophen-7-yl)amino] ester Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2CCCC(=C2SC1=NC(=O)C)NOC(=O)C3=CN=CC=C3

Isomeric SMILES

CCOC(=O)C1=C2CCCC(=C2SC1=NC(=O)C)NOC(=O)C3=CN=CC=C3

InChI

InChI=1S/C19H19N3O5S/c1-3-26-19(25)15-13-7-4-8-14(16(13)28-17(15)21-11(2)23)22-27-18(24)12-6-5-9-20-10-12/h5-6,9-10,22H,3-4,7-8H2,1-2H3