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

Systemtic Name: S-[2-[(4-methylsulfanyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[(4-methylsulfanyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[4-(methylthio)-1,3-benzothiazol-2-yl]amino]-2-oxoethyl] ester IUPAC Name: S-[2-[(4-methylsulfanyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-keto-2-[[4-(methylthio)-1,3-benzothiazol-2-yl]amino]ethyl] ester Formula: C12H12N2O2S3 MolecularWeight: 312.43088

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)NC1=NC2=C(S1)C=CC=C2SC

Isomeric SMILES

CC(=O)SCC(=O)NC1=NC2=C(S1)C=CC=C2SC

InChI

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