[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl] 2-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: [2-(4-methoxyphenyl)-2-oxidanylidene-ethyl] 2-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: [2-(4-methoxyphenyl)-2-oxo-ethyl] 2-[2-(cyclopropylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(cyclopropylamino)-2-oxoethyl]thio]benzoic acid [2-(4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxyphenyl)-2-oxoethyl] 2-[2-(cyclopropylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(cyclopropylamino)-2-keto-ethyl]thio]benzoic acid [2-keto-2-(4-methoxyphenyl)ethyl] ester Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2SCC(=O)NC3CC3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2SCC(=O)NC3CC3

InChI

InChI=1S/C21H21NO5S/c1-26-16-10-6-14(7-11-16)18(23)12-27-21(25)17-4-2-3-5-19(17)28-13-20(24)22-15-8-9-15/h2-7,10-11,15H,8-9,12-13H2,1H3,(H,22,24)