ethyl 2-[5-chloranyl-2-(4-cyanophenyl)carbonylimino-4-methyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[5-chloranyl-2-(4-cyanophenyl)carbonylimino-4-methyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[5-chloro-2-(4-cyanobenzoyl)imino-4-methyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[5-chloro-2-[(4-cyanophenyl)-oxomethyl]imino-4-methyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-chloro-2-(4-cyanobenzoyl)imino-4-methyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[5-chloro-2-(4-cyanobenzoyl)imino-4-methyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C20H16ClN3O3S MolecularWeight: 413.87734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=CC(=C2C)Cl)SC1=NC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCOC(=O)CN1C2=C(C=CC(=C2C)Cl)SC1=NC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H16ClN3O3S/c1-3-27-17(25)11-24-18-12(2)15(21)8-9-16(18)28-20(24)23-19(26)14-6-4-13(10-22)5-7-14/h4-9H,3,11H2,1-2H3