[2-oxidanylidene-2-(3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethyl] 4-cyanobenzoate

Systemtic Name: [2-oxidanylidene-2-(3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethyl] 4-cyanobenzoate Openeye Name: [2-oxo-2-(3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-oxo-2-(3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-keto-2-(3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethyl] ester Formula: C24H18N2O3S MolecularWeight: 414.47632

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C2=CC=CC=C2S1)C(=O)COC(=O)C3=CC=C(C=C3)C#N)C4=CC=CC=C4

Isomeric SMILES

C1C(N(C2=CC=CC=C2S1)C(=O)COC(=O)C3=CC=C(C=C3)C#N)C4=CC=CC=C4

InChI

InChI=1S/C24H18N2O3S/c25-14-17-10-12-19(13-11-17)24(28)29-15-23(27)26-20-8-4-5-9-22(20)30-16-21(26)18-6-2-1-3-7-18/h1-13,21H,15-16H2