methyl 3-[1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylpropanoate

Systemtic Name: methyl 3-[1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylpropanoate Openeye Name: methyl 3-[2-(4-carbamoylanilino)-1-methyl-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[1-(4-carbamoylanilino)-1-oxopropan-2-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[1-(4-carbamoylanilino)-1-oxopropan-2-yl]sulfanylpropanoate Traditional Name: 3-[[2-(4-carbamoylanilino)-2-keto-1-methyl-ethyl]thio]propionic acid methyl ester Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)SCCC(=O)OC

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)SCCC(=O)OC

InChI

InChI=1S/C14H18N2O4S/c1-9(21-8-7-12(17)20-2)14(19)16-11-5-3-10(4-6-11)13(15)18/h3-6,9H,7-8H2,1-2H3,(H2,15,18)(H,16,19)