S-[2-[1,3-benzothiazol-2-yl(pyridin-3-ylmethyl)amino]-2-oxidanylidene-ethyl] ethanethioate

Systemtic Name: S-[2-[1,3-benzothiazol-2-yl(pyridin-3-ylmethyl)amino]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[1,3-benzothiazol-2-yl(3-pyridylmethyl)amino]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[1,3-benzothiazol-2-yl(3-pyridinylmethyl)amino]-2-oxoethyl] ester IUPAC Name: S-[2-[1,3-benzothiazol-2-yl(pyridin-3-ylmethyl)amino]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[1,3-benzothiazol-2-yl(3-pyridylmethyl)amino]-2-keto-ethyl] ester Formula: C17H15N3O2S2 MolecularWeight: 357.4499

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)N(CC1=CN=CC=C1)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(=O)SCC(=O)N(CC1=CN=CC=C1)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H15N3O2S2/c1-12(21)23-11-16(22)20(10-13-5-4-8-18-9-13)17-19-14-6-2-3-7-15(14)24-17/h2-9H,10-11H2,1H3