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

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] (2R)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] (2R)-4-methylsulfanyl-2-ureido-butanoate CAS Name: (2R)-2-(carbamoylamino)-4-(methylthio)butanoic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] (2R)-2-(carbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2R)-4-(methylthio)-2-ureido-butyric acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C15H19N3O6S MolecularWeight: 369.39286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC(=O)NC1=CC2=C(C=C1)OCO2)NC(=O)N

Isomeric SMILES

CSCC[C@H](C(=O)OCC(=O)NC1=CC2=C(C=C1)OCO2)NC(=O)N

InChI

InChI=1S/C15H19N3O6S/c1-25-5-4-10(18-15(16)21)14(20)22-7-13(19)17-9-2-3-11-12(6-9)24-8-23-11/h2-3,6,10H,4-5,7-8H2,1H3,(H,17,19)(H3,16,18,21)/t10-/m1/s1