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

Systemtic Name: methyl 2-(4-ethanoylphenyl)carbonylimino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(4-acetylbenzoyl)imino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(4-acetylphenyl)-oxomethyl]imino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(4-acetylbenzoyl)imino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(4-acetylbenzoyl)imino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C22H22N2O5S MolecularWeight: 426.48548

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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)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O5S/c1-4-29-12-11-24-18-10-9-17(21(27)28-3)13-19(18)30-22(24)23-20(26)16-7-5-15(6-8-16)14(2)25/h5-10,13H,4,11-12H2,1-3H3