phenacyl 2-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: phenacyl 2-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: phenacyl 2-[2-(3-cyanoanilino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(3-cyanoanilino)-2-oxoethyl]thio]benzoic acid phenacyl ester IUPAC Name: phenacyl 2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(3-cyanoanilino)-2-keto-ethyl]thio]benzoic acid phenacyl ester Formula: C24H18N2O4S MolecularWeight: 430.47572

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2SCC(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2SCC(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C24H18N2O4S/c25-14-17-7-6-10-19(13-17)26-23(28)16-31-22-12-5-4-11-20(22)24(29)30-15-21(27)18-8-2-1-3-9-18/h1-13H,15-16H2,(H,26,28)