[2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: [2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: [2-(5-chloro-2-cyano-anilino)-2-oxo-ethyl] (2R)-4-methylsulfanyl-2-ureido-butanoate CAS Name: (2R)-2-(carbamoylamino)-4-(methylthio)butanoic acid [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] (2R)-2-(carbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2R)-4-(methylthio)-2-ureido-butyric acid [2-(5-chloro-2-cyano-anilino)-2-keto-ethyl] ester Formula: C15H17ClN4O4S MolecularWeight: 384.83788

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC(=O)NC1=C(C=CC(=C1)Cl)C#N)NC(=O)N

Isomeric SMILES

CSCC[C@H](C(=O)OCC(=O)NC1=C(C=CC(=C1)Cl)C#N)NC(=O)N

InChI

InChI=1S/C15H17ClN4O4S/c1-25-5-4-11(20-15(18)23)14(22)24-8-13(21)19-12-6-10(16)3-2-9(12)7-17/h2-3,6,11H,4-5,8H2,1H3,(H,19,21)(H3,18,20,23)/t11-/m1/s1