methyl 2-[2-(2-ethanoylsulfanylethanoylimino)-6-methylsulfanyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-(2-ethanoylsulfanylethanoylimino)-6-methylsulfanyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(2-acetylsulfanylacetyl)imino-6-methylsulfanyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[2-(acetylthio)-1-oxoethyl]imino-6-(methylthio)-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(2-acetylsulfanylacetyl)imino-6-methylsulfanyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[2-(acetylthio)acetyl]imino-6-(methylthio)-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C15H16N2O4S3 MolecularWeight: 384.49354

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)N=C1N(C2=C(S1)C=C(C=C2)SC)CC(=O)OC

Isomeric SMILES

CC(=O)SCC(=O)N=C1N(C2=C(S1)C=C(C=C2)SC)CC(=O)OC

InChI

InChI=1S/C15H16N2O4S3/c1-9(18)23-8-13(19)16-15-17(7-14(20)21-2)11-5-4-10(22-3)6-12(11)24-15/h4-6H,7-8H2,1-3H3