[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-(indan-5-ylamino)-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-(indan-5-ylamino)-2-keto-ethyl] ester Formula: C18H18N2O3S MolecularWeight: 342.41212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OCC(=O)NC2=CC3=C(CCC3)C=C2

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OCC(=O)NC2=CC3=C(CCC3)C=C2

InChI

InChI=1S/C18H18N2O3S/c1-24-17-15(6-3-9-19-17)18(22)23-11-16(21)20-14-8-7-12-4-2-5-13(12)10-14/h3,6-10H,2,4-5,11H2,1H3,(H,20,21)