[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: [2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: [2-(4-ethylanilino)-2-oxo-ethyl] (2S)-4-methylsulfanyl-2-ureido-butanoate CAS Name: (2S)-2-(carbamoylamino)-4-(methylthio)butanoic acid [2-(4-ethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylanilino)-2-oxoethyl] (2S)-2-(carbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-ureido-butyric acid [2-(4-ethylanilino)-2-keto-ethyl] ester Formula: C16H23N3O4S MolecularWeight: 353.43652

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)COC(=O)C(CCSC)NC(=O)N

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)COC(=O)[C@H](CCSC)NC(=O)N

InChI

InChI=1S/C16H23N3O4S/c1-3-11-4-6-12(7-5-11)18-14(20)10-23-15(21)13(8-9-24-2)19-16(17)22/h4-7,13H,3,8-10H2,1-2H3,(H,18,20)(H3,17,19,22)/t13-/m0/s1