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

Systemtic Name: methyl 2-[4-chloranyl-2-(4-cyanophenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H12ClN3O3S MolecularWeight: 385.82418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12ClN3O3S/c1-25-15(23)10-22-16-13(19)3-2-4-14(16)26-18(22)21-17(24)12-7-5-11(9-20)6-8-12/h2-8H,10H2,1H3