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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=C(C(=C3)OC)OC)OC)S2)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=C(C(=C3)OC)OC)OC)S2)C

InChI

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