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

Systemtic Name: S-[2-[(7-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-(phenylmethyl)amino]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[benzyl-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: S-[2-[benzyl-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[benzyl-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C19H17ClN2O2S2 MolecularWeight: 404.93348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17ClN2O2S2/c1-12-8-9-15(20)18-17(12)21-19(26-18)22(16(24)11-25-13(2)23)10-14-6-4-3-5-7-14/h3-9H,10-11H2,1-2H3