methyl 2-[(2-ethylphenyl)carbamoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[(2-ethylphenyl)carbamoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[(2-ethylphenyl)carbamoylamino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(2-ethylanilino)-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[(2-ethylphenyl)carbamoylamino]-4-methylsulfanylbutanoate Traditional Name: 2-[(2-ethylphenyl)carbamoylamino]-4-(methylthio)butyric acid methyl ester Formula: C15H22N2O3S MolecularWeight: 310.41178

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)NC(CCSC)C(=O)OC

InChI

InChI=1S/C15H22N2O3S/c1-4-11-7-5-6-8-12(11)16-15(19)17-13(9-10-21-3)14(18)20-2/h5-8,13H,4,9-10H2,1-3H3,(H2,16,17,19)