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

Systemtic Name: ethyl 2-[4-chloranyl-2-(4-cyanophenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[4-chloro-2-(4-cyanobenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[4-chloro-2-[(4-cyanophenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-chloro-2-(4-cyanobenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[4-chloro-2-(4-cyanobenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C19H14ClN3O3S MolecularWeight: 399.85076

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=CC=C2Cl)SC1=NC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCOC(=O)CN1C2=C(C=CC=C2Cl)SC1=NC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H14ClN3O3S/c1-2-26-16(24)11-23-17-14(20)4-3-5-15(17)27-19(23)22-18(25)13-8-6-12(10-21)7-9-13/h3-9H,2,11H2,1H3