methyl 3-(2-methylsulfanylethyl)-2-(3,4,5-trimethoxyphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 3-(2-methylsulfanylethyl)-2-(3,4,5-trimethoxyphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-(2-methylsulfanylethyl)-2-(3,4,5-trimethoxybenzoyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-[2-(methylthio)ethyl]-2-[oxo-(3,4,5-trimethoxyphenyl)methyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-(2-methylsulfanylethyl)-2-(3,4,5-trimethoxybenzoyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-[2-(methylthio)ethyl]-2-(3,4,5-trimethoxybenzoyl)imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C22H24N2O6S2 MolecularWeight: 476.56576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OC)CCSC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OC)CCSC

InChI

InChI=1S/C22H24N2O6S2/c1-27-16-10-14(11-17(28-2)19(16)29-3)20(25)23-22-24(8-9-31-5)15-7-6-13(21(26)30-4)12-18(15)32-22/h6-7,10-12H,8-9H2,1-5H3