2-(2,3-dihydro-1H-inden-1-ylcarbamothioylamino)ethyl pyridine-2-carboxylate

Systemtic Name: 2-(2,3-dihydro-1H-inden-1-ylcarbamothioylamino)ethyl pyridine-2-carboxylate Openeye Name: 2-(indan-1-ylcarbamothioylamino)ethyl pyridine-2-carboxylate CAS Name: 2-pyridinecarboxylic acid 2-[[(2,3-dihydro-1H-inden-1-ylamino)-sulfanylidenemethyl]amino]ethyl ester IUPAC Name: 2-(2,3-dihydro-1H-inden-1-ylcarbamothioylamino)ethyl pyridine-2-carboxylate Traditional Name: picolinic acid 2-(indan-1-ylthiocarbamoylamino)ethyl ester Formula: C18H19N3O2S MolecularWeight: 341.42736

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2C1NC(=S)NCCOC(=O)C3=CC=CC=N3

Isomeric SMILES

C1CC2=CC=CC=C2C1NC(=S)NCCOC(=O)C3=CC=CC=N3

InChI

InChI=1S/C18H19N3O2S/c22-17(16-7-3-4-10-19-16)23-12-11-20-18(24)21-15-9-8-13-5-1-2-6-14(13)15/h1-7,10,15H,8-9,11-12H2,(H2,20,21,24)