[2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: [2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: [2-(3-chloro-4-methoxy-anilino)-2-oxo-ethyl] (2S)-4-methylsulfanyl-2-ureido-butanoate CAS Name: (2S)-2-(carbamoylamino)-4-(methylthio)butanoic acid [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] (2S)-2-(carbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-ureido-butyric acid [2-(3-chloro-4-methoxy-anilino)-2-keto-ethyl] ester Formula: C15H20ClN3O5S MolecularWeight: 389.8544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)COC(=O)C(CCSC)NC(=O)N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)COC(=O)[C@H](CCSC)NC(=O)N)Cl

InChI

InChI=1S/C15H20ClN3O5S/c1-23-12-4-3-9(7-10(12)16)18-13(20)8-24-14(21)11(5-6-25-2)19-15(17)22/h3-4,7,11H,5-6,8H2,1-2H3,(H,18,20)(H3,17,19,22)/t11-/m0/s1