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

Systemtic Name: methyl 3-ethyl-2-(3,4,5-trimethoxyphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-ethyl-2-(3,4,5-trimethoxybenzoyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-ethyl-2-[oxo-(3,4,5-trimethoxyphenyl)methyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-ethyl-2-(3,4,5-trimethoxybenzoyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-ethyl-2-(3,4,5-trimethoxybenzoyl)imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C21H22N2O6S/c1-6-23-14-8-7-12(20(25)29-5)11-17(14)30-21(23)22-19(24)13-9-15(26-2)18(28-4)16(10-13)27-3/h7-11H,6H2,1-5H3