[2-(2,3-dihydro-1H-inden-5-yl)-2-oxidanylidene-ethyl] 2-(2-cyanophenyl)sulfanylbenzoate

Systemtic Name: [2-(2,3-dihydro-1H-inden-5-yl)-2-oxidanylidene-ethyl] 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: (2-indan-5-yl-2-oxo-ethyl) 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid (2-indan-5-yl-2-keto-ethyl) ester Formula: C25H19NO3S MolecularWeight: 413.48826

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)C(=O)COC(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)C(=O)COC(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

InChI

InChI=1S/C25H19NO3S/c26-15-20-6-1-3-10-23(20)30-24-11-4-2-9-21(24)25(28)29-16-22(27)19-13-12-17-7-5-8-18(17)14-19/h1-4,6,9-14H,5,7-8,16H2