[2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: [2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: [2-(2-cyanoanilino)-2-oxo-ethyl] (2R)-4-methylsulfanyl-2-ureido-butanoate CAS Name: (2R)-2-(carbamoylamino)-4-(methylthio)butanoic acid [2-(2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoanilino)-2-oxoethyl] (2R)-2-(carbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2R)-4-(methylthio)-2-ureido-butyric acid [2-(2-cyanoanilino)-2-keto-ethyl] ester Formula: C15H18N4O4S MolecularWeight: 350.39282

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC(=O)NC1=CC=CC=C1C#N)NC(=O)N

Isomeric SMILES

CSCC[C@H](C(=O)OCC(=O)NC1=CC=CC=C1C#N)NC(=O)N

InChI

InChI=1S/C15H18N4O4S/c1-24-7-6-12(19-15(17)22)14(21)23-9-13(20)18-11-5-3-2-4-10(11)8-16/h2-5,12H,6-7,9H2,1H3,(H,18,20)(H3,17,19,22)/t12-/m1/s1