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

Systemtic Name: methyl 3-(2-ethoxyethyl)-2-(4-ethoxyphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(4-ethoxybenzoyl)imino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-ethoxyethyl)-2-[(4-ethoxyphenyl)-oxomethyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(4-ethoxybenzoyl)imino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(4-ethoxybenzoyl)imino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C22H24N2O5S MolecularWeight: 428.50136

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O5S/c1-4-28-13-12-24-18-11-8-16(21(26)27-3)14-19(18)30-22(24)23-20(25)15-6-9-17(10-7-15)29-5-2/h6-11,14H,4-5,12-13H2,1-3H3