[2-oxidanylidene-2-(phenethylamino)ethyl] 2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-(phenethylamino)ethyl] 2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: [2-oxo-2-(phenethylamino)ethyl] 2-[2-(3-methylanilino)-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-(3-methylanilino)-2-oxoethyl]thio]acetic acid [2-oxo-2-(phenethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(phenethylamino)ethyl] 2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-keto-2-(m-toluidino)ethyl]thio]acetic acid [2-keto-2-(phenethylamino)ethyl] ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSCC(=O)OCC(=O)NCCC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSCC(=O)OCC(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C21H24N2O4S/c1-16-6-5-9-18(12-16)23-20(25)14-28-15-21(26)27-13-19(24)22-11-10-17-7-3-2-4-8-17/h2-9,12H,10-11,13-15H2,1H3,(H,22,24)(H,23,25)