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

Systemtic Name: S-[2-[(7-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-(pyridin-3-ylmethyl)amino]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-(3-pyridylmethyl)amino]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-(3-pyridinylmethyl)amino]-2-oxoethyl] ester IUPAC Name: S-[2-[(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-(pyridin-3-ylmethyl)amino]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-(3-pyridylmethyl)amino]-2-keto-ethyl] ester Formula: C18H16ClN3O2S2 MolecularWeight: 405.92154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)Cl)SC(=N2)N(CC3=CN=CC=C3)C(=O)CSC(=O)C

Isomeric SMILES

CC1=C2C(=C(C=C1)Cl)SC(=N2)N(CC3=CN=CC=C3)C(=O)CSC(=O)C

InChI

InChI=1S/C18H16ClN3O2S2/c1-11-5-6-14(19)17-16(11)21-18(26-17)22(15(24)10-25-12(2)23)9-13-4-3-7-20-8-13/h3-8H,9-10H2,1-2H3