methyl 3-(2-azanylethylsulfanylmethyl)-4-oxidanylidene-4-pyridin-3-yl-butanoate

Systemtic Name: methyl 3-(2-azanylethylsulfanylmethyl)-4-oxidanylidene-4-pyridin-3-yl-butanoate Openeye Name: methyl 3-(2-aminoethylsulfanylmethyl)-4-oxo-4-(3-pyridyl)butanoate CAS Name: 3-[(2-aminoethylthio)methyl]-4-oxo-4-(3-pyridinyl)butanoic acid methyl ester IUPAC Name: methyl 3-(2-aminoethylsulfanylmethyl)-4-oxo-4-pyridin-3-ylbutanoate Traditional Name: 3-[(2-aminoethylthio)methyl]-4-keto-4-(3-pyridyl)butyric acid methyl ester Formula: C13H18N2O3S MolecularWeight: 282.35862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CSCCN)C(=O)C1=CN=CC=C1

Isomeric SMILES

COC(=O)CC(CSCCN)C(=O)C1=CN=CC=C1

InChI

InChI=1S/C13H18N2O3S/c1-18-12(16)7-11(9-19-6-4-14)13(17)10-3-2-5-15-8-10/h2-3,5,8,11H,4,6-7,9,14H2,1H3