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

Systemtic Name: S-[2-[(6-acetamido-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[(6-acetamido-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[(6-acetamido-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: S-[2-[(6-acetamido-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[(6-acetamido-1,3-benzothiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C13H13N3O3S2 MolecularWeight: 323.39062

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC(=O)C

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC(=O)C

InChI

InChI=1S/C13H13N3O3S2/c1-7(17)14-9-3-4-10-11(5-9)21-13(15-10)16-12(19)6-20-8(2)18/h3-5H,6H2,1-2H3,(H,14,17)(H,15,16,19)