2-[2,3-dihydro-1H-inden-1-ylcarbamothioyl(ethanoyl)amino]ethyl pyridine-3-carboxylate

Systemtic Name: 2-[2,3-dihydro-1H-inden-1-ylcarbamothioyl(ethanoyl)amino]ethyl pyridine-3-carboxylate Openeye Name: 2-[acetyl(indan-1-ylcarbamothioyl)amino]ethyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid 2-[acetyl-[(2,3-dihydro-1H-inden-1-ylamino)-sulfanylidenemethyl]amino]ethyl ester IUPAC Name: 2-[acetyl(2,3-dihydro-1H-inden-1-ylcarbamothioyl)amino]ethyl pyridine-3-carboxylate Traditional Name: nicotinic acid 2-[acetyl(indan-1-ylthiocarbamoyl)amino]ethyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CCOC(=O)C1=CN=CC=C1)C(=S)NC2CCC3=CC=CC=C23

Isomeric SMILES

CC(=O)N(CCOC(=O)C1=CN=CC=C1)C(=S)NC2CCC3=CC=CC=C23

InChI

InChI=1S/C20H21N3O3S/c1-14(24)23(11-12-26-19(25)16-6-4-10-21-13-16)20(27)22-18-9-8-15-5-2-3-7-17(15)18/h2-7,10,13,18H,8-9,11-12H2,1H3,(H,22,27)