methyl 3-(2-methylsulfanylethyl)-2-[4-(phenylmethyl)phenyl]carbonylimino-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 3-(2-methylsulfanylethyl)-2-[4-(phenylmethyl)phenyl]carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(4-benzylbenzoyl)imino-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 3-[2-(methylthio)ethyl]-2-[oxo-[4-(phenylmethyl)phenyl]methyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(4-benzylbenzoyl)imino-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(4-benzylbenzoyl)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)C3=CC=C(C=C3)CC4=CC=CC=C4)S2)CCSC

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)CC4=CC=CC=C4)S2)CCSC

InChI

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