[2-oxidanylidene-2-[(phenylmethyl)carbamoylamino]ethyl] 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)carbamoylamino]ethyl] 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanoate Openeye Name: [2-(benzylcarbamoylamino)-2-oxo-ethyl] 2-indan-5-ylsulfanylacetate CAS Name: 2-(2,3-dihydro-1H-inden-5-ylthio)acetic acid [2-oxo-2-[[oxo-[(phenylmethyl)amino]methyl]amino]ethyl] ester IUPAC Name: [2-(benzylcarbamoylamino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate Traditional Name: 2-(indan-5-ylthio)acetic acid [2-(benzylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)SCC(=O)OCC(=O)NC(=O)NCC3=CC=CC=C3

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)SCC(=O)OCC(=O)NC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O4S/c24-19(23-21(26)22-12-15-5-2-1-3-6-15)13-27-20(25)14-28-18-10-9-16-7-4-8-17(16)11-18/h1-3,5-6,9-11H,4,7-8,12-14H2,(H2,22,23,24,26)