2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl-(2-oxidanylidene-2-sulfanyl-ethyl)amino]ethanethioic S-acid

Systemtic Name: 2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl-(2-oxidanylidene-2-sulfanyl-ethyl)amino]ethanethioic S-acid Openeye Name: 2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl-(2-oxo-2-sulfanyl-ethyl)amino]ethanethioic S-acid CAS Name: 2-[(2-mercapto-2-oxoethyl)-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]ethanethioic S-acid IUPAC Name: 2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl-(2-oxo-2-sulfanylethyl)amino]ethanethioic S-acid Traditional Name: 2-[(2-keto-2-mercapto-ethyl)-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]thioacetic acid Formula: C12H12N2O4S4 MolecularWeight: 376.49468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N(CC(=O)S)CC(=O)S

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N(CC(=O)S)CC(=O)S

InChI

InChI=1S/C12H12N2O4S4/c1-7-13-9-3-2-8(4-10(9)21-7)22(17,18)14(5-11(15)19)6-12(16)20/h2-4H,5-6H2,1H3,(H,15,19)(H,16,20)