methyl 2-(2,2-diphenylethanoylimino)-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-(2,2-diphenylethanoylimino)-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(2,2-diphenylacetyl)imino-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 3-[2-(methylthio)ethyl]-2-(1-oxo-2,2-diphenylethyl)imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(2,2-diphenylacetyl)imino-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(2,2-diphenylacetyl)imino-3-[2-(methylthio)ethyl]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C26H24N2O3S2 MolecularWeight: 476.61036

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)S2)CCSC

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)S2)CCSC

InChI

InChI=1S/C26H24N2O3S2/c1-31-25(30)20-13-14-21-22(17-20)33-26(28(21)15-16-32-2)27-24(29)23(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-14,17,23H,15-16H2,1-2H3