methyl 3-(2-ethoxyethyl)-2-(3,4,5-triethoxyphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 3-(2-ethoxyethyl)-2-(3,4,5-triethoxyphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-(2-ethoxyethyl)-2-(3,4,5-triethoxybenzoyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-ethoxyethyl)-2-[oxo-(3,4,5-triethoxyphenyl)methyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-(2-ethoxyethyl)-2-(3,4,5-triethoxybenzoyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-(2-ethoxyethyl)-2-(3,4,5-triethoxybenzoyl)imino-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C26H32N2O7S MolecularWeight: 516.60648

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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)OCC)OCC)OCC

Isomeric SMILES

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

InChI

InChI=1S/C26H32N2O7S/c1-6-32-13-12-28-19-11-10-17(25(30)31-5)16-22(19)36-26(28)27-24(29)18-14-20(33-7-2)23(35-9-4)21(15-18)34-8-3/h10-11,14-16H,6-9,12-13H2,1-5H3