S-[2-[(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] ethanethioate

Systemtic Name: S-[2-[(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[(5-chloro-4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[(5-chloro-4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: S-[2-[(5-chloro-4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[(5-chloro-4-methyl-1,3-benzothiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C12H11ClN2O2S2 MolecularWeight: 314.81094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=C(S2)NC(=O)CSC(=O)C)Cl

Isomeric SMILES

CC1=C(C=CC2=C1N=C(S2)NC(=O)CSC(=O)C)Cl

InChI

InChI=1S/C12H11ClN2O2S2/c1-6-8(13)3-4-9-11(6)15-12(19-9)14-10(17)5-18-7(2)16/h3-4H,5H2,1-2H3,(H,14,15,17)