methyl 2-[3-oxidanylidene-3-[(phenylmethyl)carbamoylamino]propyl]sulfanylethanoate

Systemtic Name: methyl 2-[3-oxidanylidene-3-[(phenylmethyl)carbamoylamino]propyl]sulfanylethanoate Openeye Name: methyl 2-[3-(benzylcarbamoylamino)-3-oxo-propyl]sulfanylacetate CAS Name: 2-[[3-oxo-3-[[oxo-[(phenylmethyl)amino]methyl]amino]propyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[3-(benzylcarbamoylamino)-3-oxopropyl]sulfanylacetate Traditional Name: 2-[[3-(benzylcarbamoylamino)-3-keto-propyl]thio]acetic acid methyl ester Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSCCC(=O)NC(=O)NCC1=CC=CC=C1

Isomeric SMILES

COC(=O)CSCCC(=O)NC(=O)NCC1=CC=CC=C1

InChI

InChI=1S/C14H18N2O4S/c1-20-13(18)10-21-8-7-12(17)16-14(19)15-9-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H2,15,16,17,19)