methyl 3-(2-methoxy-2-oxidanylidene-ethyl)-2-(4-methylsulfanylphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 3-(2-methoxy-2-oxidanylidene-ethyl)-2-(4-methylsulfanylphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-(2-methoxy-2-oxo-ethyl)-2-(4-methylsulfanylbenzoyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-methoxy-2-oxoethyl)-2-[[4-(methylthio)phenyl]-oxomethyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-(2-methoxy-2-oxoethyl)-2-(4-methylsulfanylbenzoyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-(2-keto-2-methoxy-ethyl)-2-[4-(methylthio)benzoyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C20H18N2O5S2 MolecularWeight: 430.49732

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C20H18N2O5S2/c1-26-17(23)11-22-15-9-6-13(19(25)27-2)10-16(15)29-20(22)21-18(24)12-4-7-14(28-3)8-5-12/h4-10H,11H2,1-3H3