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

Systemtic Name: ethyl 2-(4-cyanophenyl)carbonylimino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(4-cyanobenzoyl)imino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(4-cyanophenyl)-oxomethyl]imino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-cyanobenzoyl)imino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(4-cyanobenzoyl)imino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O4S/c1-3-28-12-11-25-18-10-9-17(21(27)29-4-2)13-19(18)30-22(25)24-20(26)16-7-5-15(14-23)6-8-16/h5-10,13H,3-4,11-12H2,1-2H3