S-[2-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]-2-oxidanylidene-ethyl] ethanethioate

Systemtic Name: S-[2-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[2-(methylthio)-1,3-benzothiazol-6-yl]amino]-2-oxoethyl] ester IUPAC Name: S-[2-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-keto-2-[[2-(methylthio)-1,3-benzothiazol-6-yl]amino]ethyl] ester Formula: C12H12N2O2S3 MolecularWeight: 312.43088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)NC1=CC2=C(C=C1)N=C(S2)SC

Isomeric SMILES

CC(=O)SCC(=O)NC1=CC2=C(C=C1)N=C(S2)SC

InChI

InChI=1S/C12H12N2O2S3/c1-7(15)18-6-11(16)13-8-3-4-9-10(5-8)19-12(14-9)17-2/h3-5H,6H2,1-2H3,(H,13,16)