[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] (2R)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] (2R)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] (2R)-4-methylsulfanyl-2-ureido-butanoate CAS Name: (2R)-2-(carbamoylamino)-4-(methylthio)butanoic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] (2R)-2-(carbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2R)-4-(methylthio)-2-ureido-butyric acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C15H18N2O6S MolecularWeight: 354.37822

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC(=O)C1=CC2=C(C=C1)OCO2)NC(=O)N

Isomeric SMILES

CSCC[C@H](C(=O)OCC(=O)C1=CC2=C(C=C1)OCO2)NC(=O)N

InChI

InChI=1S/C15H18N2O6S/c1-24-5-4-10(17-15(16)20)14(19)21-7-11(18)9-2-3-12-13(6-9)23-8-22-12/h2-3,6,10H,4-5,7-8H2,1H3,(H3,16,17,20)/t10-/m1/s1