methyl 2-(4-cyanophenyl)carbonylimino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-(4-cyanophenyl)carbonylimino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(4-cyanobenzoyl)imino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(4-cyanophenyl)-oxomethyl]imino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(4-cyanobenzoyl)imino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(4-cyanobenzoyl)imino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

COCCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H17N3O4S/c1-26-10-9-23-16-8-7-15(19(25)27-2)11-17(16)28-20(23)22-18(24)14-5-3-13(12-21)4-6-14/h3-8,11H,9-10H2,1-2H3