[2-[2-(4-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 2-(2-cyanophenyl)sulfanylbenzoate

Systemtic Name: [2-[2-(4-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: [2-[2-(4-methoxyphenyl)ethylamino]-2-oxo-ethyl] 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid [2-keto-2-[2-(4-methoxyphenyl)ethylamino]ethyl] ester Formula: C25H22N2O4S MolecularWeight: 446.51818

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC(=O)COC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

Isomeric SMILES

COC1=CC=C(C=C1)CCNC(=O)COC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

InChI

InChI=1S/C25H22N2O4S/c1-30-20-12-10-18(11-13-20)14-15-27-24(28)17-31-25(29)21-7-3-5-9-23(21)32-22-8-4-2-6-19(22)16-26/h2-13H,14-15,17H2,1H3,(H,27,28)