methyl 3-(2-methylsulfanylethyl)-2-[2-(phenylmethylsulfanyl)ethanoylimino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 3-(2-methylsulfanylethyl)-2-[2-(phenylmethylsulfanyl)ethanoylimino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(2-benzylsulfanylacetyl)imino-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 3-[2-(methylthio)ethyl]-2-[1-oxo-2-(phenylmethylthio)ethyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(2-benzylsulfanylacetyl)imino-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[2-(benzylthio)acetyl]imino-3-[2-(methylthio)ethyl]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C21H22N2O3S3 MolecularWeight: 446.60598

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CSCC3=CC=CC=C3)S2)CCSC

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CSCC3=CC=CC=C3)S2)CCSC

InChI

InChI=1S/C21H22N2O3S3/c1-26-20(25)16-8-9-17-18(12-16)29-21(23(17)10-11-27-2)22-19(24)14-28-13-15-6-4-3-5-7-15/h3-9,12H,10-11,13-14H2,1-2H3