S-[2-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-(pyridin-3-ylmethyl)amino]-2-oxidanylidene-ethyl] ethanethioate

Systemtic Name: S-[2-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-(pyridin-3-ylmethyl)amino]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-(3-pyridylmethyl)amino]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-(3-pyridinylmethyl)amino]-2-oxoethyl] ester IUPAC Name: S-[2-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-(pyridin-3-ylmethyl)amino]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-(3-pyridylmethyl)amino]-2-keto-ethyl] ester Formula: C19H19N3O4S2 MolecularWeight: 417.50186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O4S2/c1-12(23)27-11-16(24)22(10-13-5-4-8-20-9-13)19-21-17-14(25-2)6-7-15(26-3)18(17)28-19/h4-9H,10-11H2,1-3H3