[2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl] (2R)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: [2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl] (2R)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: [2-[(2-chloro-3-pyridyl)amino]-2-oxo-ethyl] (2R)-4-methylsulfanyl-2-ureido-butanoate CAS Name: (2R)-2-(carbamoylamino)-4-(methylthio)butanoic acid [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-chloropyridin-3-yl)amino]-2-oxoethyl] (2R)-2-(carbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2R)-4-(methylthio)-2-ureido-butyric acid [2-[(2-chloro-3-pyridyl)amino]-2-keto-ethyl] ester Formula: C13H17ClN4O4S MolecularWeight: 360.81648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17ClN4O4S/c1-23-6-4-9(18-13(15)21)12(20)22-7-10(19)17-8-3-2-5-16-11(8)14/h2-3,5,9H,4,6-7H2,1H3,(H,17,19)(H3,15,18,21)/t9-/m1/s1