[2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl] 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: [2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl] 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: [2-(ethoxycarbonylamino)-2-oxo-ethyl] 2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(4-methylanilino)-2-oxoethyl]thio]benzoic acid [2-(ethoxycarbonylamino)-2-oxoethyl] ester IUPAC Name: [2-(ethoxycarbonylamino)-2-oxoethyl] 2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-(p-toluidino)ethyl]thio]benzoic acid [2-(carbethoxyamino)-2-keto-ethyl] ester Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=O)COC(=O)C1=CC=CC=C1SCC(=O)NC2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)NC(=O)COC(=O)C1=CC=CC=C1SCC(=O)NC2=CC=C(C=C2)C

InChI

InChI=1S/C21H22N2O6S/c1-3-28-21(27)23-18(24)12-29-20(26)16-6-4-5-7-17(16)30-13-19(25)22-15-10-8-14(2)9-11-15/h4-11H,3,12-13H2,1-2H3,(H,22,25)(H,23,24,27)