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

Systemtic Name: S-[2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: S-[2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-keto-2-[(6-mesyl-1,3-benzothiazol-2-yl)amino]ethyl] ester Formula: C12H12N2O4S3 MolecularWeight: 344.42968

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CC(=O)SCC(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C12H12N2O4S3/c1-7(15)19-6-11(16)14-12-13-9-4-3-8(21(2,17)18)5-10(9)20-12/h3-5H,6H2,1-2H3,(H,13,14,16)