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

Systemtic Name: ethyl 2-(4-ethoxyphenyl)carbonylimino-3-ethyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(4-ethoxybenzoyl)imino-3-ethyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(4-ethoxyphenyl)-oxomethyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-ethoxybenzoyl)imino-3-ethyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(4-ethoxybenzoyl)imino-3-ethyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4S/c1-4-23-17-12-9-15(20(25)27-6-3)13-18(17)28-21(23)22-19(24)14-7-10-16(11-8-14)26-5-2/h7-13H,4-6H2,1-3H3