methyl 2-[2-(4-cyanophenyl)carbonyliminobenzo[g][1,3]benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-(4-cyanophenyl)carbonyliminobenzo[g][1,3]benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(4-cyanobenzoyl)iminobenzo[g][1,3]benzothiazol-3-yl]acetate CAS Name: 2-[2-[(4-cyanophenyl)-oxomethyl]imino-3-benzo[g][1,3]benzothiazolyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(4-cyanobenzoyl)iminobenzo[g][1,3]benzothiazol-3-yl]acetate Traditional Name: 2-[2-(4-cyanobenzoyl)iminobenzo[g][1,3]benzothiazol-3-yl]acetic acid methyl ester Formula: C22H15N3O3S MolecularWeight: 401.4378

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C3=CC=CC=C3C=C2)SC1=NC(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

COC(=O)CN1C2=C(C3=CC=CC=C3C=C2)SC1=NC(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H15N3O3S/c1-28-19(26)13-25-18-11-10-15-4-2-3-5-17(15)20(18)29-22(25)24-21(27)16-8-6-14(12-23)7-9-16/h2-11H,13H2,1H3