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

Systemtic Name: S-[2-[(4-chloranyl-1,3-benzothiazol-2-yl)-(pyridin-3-ylmethyl)amino]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[(4-chloro-1,3-benzothiazol-2-yl)-(3-pyridylmethyl)amino]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[(4-chloro-1,3-benzothiazol-2-yl)-(3-pyridinylmethyl)amino]-2-oxoethyl] ester IUPAC Name: S-[2-[(4-chloro-1,3-benzothiazol-2-yl)-(pyridin-3-ylmethyl)amino]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[(4-chloro-1,3-benzothiazol-2-yl)-(3-pyridylmethyl)amino]-2-keto-ethyl] ester Formula: C17H14ClN3O2S2 MolecularWeight: 391.89496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)N(CC1=CN=CC=C1)C2=NC3=C(S2)C=CC=C3Cl

Isomeric SMILES

CC(=O)SCC(=O)N(CC1=CN=CC=C1)C2=NC3=C(S2)C=CC=C3Cl

InChI

InChI=1S/C17H14ClN3O2S2/c1-11(22)24-10-15(23)21(9-12-4-3-7-19-8-12)17-20-16-13(18)5-2-6-14(16)25-17/h2-8H,9-10H2,1H3