[2-oxidanylidene-2-[(phenylmethyl)carbamoylamino]ethyl] 2-(4-acetamidophenyl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)carbamoylamino]ethyl] 2-(4-acetamidophenyl)sulfanylethanoate Openeye Name: [2-(benzylcarbamoylamino)-2-oxo-ethyl] 2-(4-acetamidophenyl)sulfanylacetate CAS Name: 2-[(4-acetamidophenyl)thio]acetic acid [2-oxo-2-[[oxo-[(phenylmethyl)amino]methyl]amino]ethyl] ester IUPAC Name: [2-(benzylcarbamoylamino)-2-oxoethyl] 2-(4-acetamidophenyl)sulfanylacetate Traditional Name: 2-[(4-acetamidophenyl)thio]acetic acid [2-(benzylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SCC(=O)OCC(=O)NC(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SCC(=O)OCC(=O)NC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C20H21N3O5S/c1-14(24)22-16-7-9-17(10-8-16)29-13-19(26)28-12-18(25)23-20(27)21-11-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,22,24)(H2,21,23,25,27)