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

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] (2R)-3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-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-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] (2R)-3-methyl-2-(thiophene-2-carbonylamino)butanoate Traditional Name: (2R)-3-methyl-2-(2-thenoylamino)butyric acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NCC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=CS3

Isomeric SMILES

CC(C)[C@H](C(=O)OCC(=O)NCC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C20H22N2O6S/c1-12(2)18(22-19(24)16-4-3-7-29-16)20(25)26-10-17(23)21-9-13-5-6-14-15(8-13)28-11-27-14/h3-8,12,18H,9-11H2,1-2H3,(H,21,23)(H,22,24)/t18-/m1/s1