methyl 3-(2-methylsulfanylethyl)-2-(4-phenoxyphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 3-(2-methylsulfanylethyl)-2-(4-phenoxyphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-(2-methylsulfanylethyl)-2-(4-phenoxybenzoyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-[2-(methylthio)ethyl]-2-[oxo-(4-phenoxyphenyl)methyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-(2-methylsulfanylethyl)-2-(4-phenoxybenzoyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-[2-(methylthio)ethyl]-2-(4-phenoxybenzoyl)imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C25H22N2O4S2 MolecularWeight: 478.58318

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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)OC4=CC=CC=C4)S2)CCSC

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)S2)CCSC

InChI

InChI=1S/C25H22N2O4S2/c1-30-24(29)18-10-13-21-22(16-18)33-25(27(21)14-15-32-2)26-23(28)17-8-11-20(12-9-17)31-19-6-4-3-5-7-19/h3-13,16H,14-15H2,1-2H3