methyl 3-(2-ethoxyethyl)-2-(4-methylsulfanylphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 3-(2-ethoxyethyl)-2-(4-methylsulfanylphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-(2-ethoxyethyl)-2-(4-methylsulfanylbenzoyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-ethoxyethyl)-2-[[4-(methylthio)phenyl]-oxomethyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-(2-ethoxyethyl)-2-(4-methylsulfanylbenzoyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-(2-ethoxyethyl)-2-[4-(methylthio)benzoyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C21H22N2O4S2 MolecularWeight: 430.54038

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CCOCCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C21H22N2O4S2/c1-4-27-12-11-23-17-10-7-15(20(25)26-2)13-18(17)29-21(23)22-19(24)14-5-8-16(28-3)9-6-14/h5-10,13H,4,11-12H2,1-3H3