2,3-dihydro-1H-inden-2-yl 3-azanyl-2-pyridin-2-yl-3-sulfanylidene-propanoate

Systemtic Name: 2,3-dihydro-1H-inden-2-yl 3-azanyl-2-pyridin-2-yl-3-sulfanylidene-propanoate Openeye Name: indan-2-yl 3-amino-2-(2-pyridyl)-3-thioxo-propanoate CAS Name: 3-amino-2-(2-pyridinyl)-3-sulfanylidenepropanoic acid 2,3-dihydro-1H-inden-2-yl ester IUPAC Name: 2,3-dihydro-1H-inden-2-yl 3-amino-2-pyridin-2-yl-3-sulfanylidenepropanoate Traditional Name: 3-amino-2-(2-pyridyl)-3-thioxo-propionic acid indan-2-yl ester Formula: C17H16N2O2S MolecularWeight: 312.38614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(CC2=CC=CC=C21)OC(=O)C(C3=CC=CC=N3)C(=S)N

Isomeric SMILES

C1C(CC2=CC=CC=C21)OC(=O)C(C3=CC=CC=N3)C(=S)N

InChI

InChI=1S/C17H16N2O2S/c18-16(22)15(14-7-3-4-8-19-14)17(20)21-13-9-11-5-1-2-6-12(11)10-13/h1-8,13,15H,9-10H2,(H2,18,22)