[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] (2R)-3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] (2R)-3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] (2R)-3-methyl-2-(thiophene-2-carbonylamino)butanoate CAS Name: (2R)-3-methyl-2-[[oxo(thiophen-2-yl)methyl]amino]butanoic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] (2R)-3-methyl-2-(thiophene-2-carbonylamino)butanoate Traditional Name: (2R)-3-methyl-2-(2-thenoylamino)butyric acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C19H19NO6S MolecularWeight: 389.42226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)C1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=CS3

Isomeric SMILES

CC(C)[C@H](C(=O)OCC(=O)C1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C19H19NO6S/c1-11(2)17(20-18(22)16-4-3-7-27-16)19(23)24-9-13(21)12-5-6-14-15(8-12)26-10-25-14/h3-8,11,17H,9-10H2,1-2H3,(H,20,22)/t17-/m1/s1