[2-[methyl-[2-oxidanylidene-2-(propylamino)ethyl]amino]-2-oxidanylidene-ethyl] 2-phenylsulfanylethanoate

Systemtic Name: [2-[methyl-[2-oxidanylidene-2-(propylamino)ethyl]amino]-2-oxidanylidene-ethyl] 2-phenylsulfanylethanoate Openeye Name: [2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxo-ethyl] 2-phenylsulfanylacetate CAS Name: 2-(phenylthio)acetic acid [2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl] 2-phenylsulfanylacetate Traditional Name: 2-(phenylthio)acetic acid [2-keto-2-[[2-keto-2-(propylamino)ethyl]-methyl-amino]ethyl] ester Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CN(C)C(=O)COC(=O)CSC1=CC=CC=C1

Isomeric SMILES

CCCNC(=O)CN(C)C(=O)COC(=O)CSC1=CC=CC=C1

InChI

InChI=1S/C16H22N2O4S/c1-3-9-17-14(19)10-18(2)15(20)11-22-16(21)12-23-13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3,(H,17,19)