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

Systemtic Name: S-[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl] ester IUPAC Name: S-[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-keto-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]ethyl] ester Formula: C12H12N2O2S2 MolecularWeight: 280.36588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC(=O)CSC(=O)C

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC(=O)CSC(=O)C

InChI

InChI=1S/C12H12N2O2S2/c1-7-13-10-4-3-9(5-11(10)18-7)14-12(16)6-17-8(2)15/h3-5H,6H2,1-2H3,(H,14,16)