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

Systemtic Name: ethyl 2-(4-ethanoylphenyl)carbonylimino-3-ethyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(4-acetylbenzoyl)imino-3-ethyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(4-acetylphenyl)-oxomethyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-acetylbenzoyl)imino-3-ethyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(4-acetylbenzoyl)imino-3-ethyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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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)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O4S/c1-4-23-17-11-10-16(20(26)27-5-2)12-18(17)28-21(23)22-19(25)15-8-6-14(7-9-15)13(3)24/h6-12H,4-5H2,1-3H3