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

Systemtic Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] 3-methyl-2-(thiophene-2-carbonylamino)butanoate CAS Name: 3-methyl-2-[[oxo(thiophen-2-yl)methyl]amino]butanoic acid [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 3-methyl-2-(thiophene-2-carbonylamino)butanoate Traditional Name: 3-methyl-2-(2-thenoylamino)butyric acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C)C(=O)NC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=CS3

Isomeric SMILES

CC(C)C(C(=O)OC(C)C(=O)NC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C20H22N2O6S/c1-11(2)17(22-19(24)16-5-4-8-29-16)20(25)28-12(3)18(23)21-13-6-7-14-15(9-13)27-10-26-14/h4-9,11-12,17H,10H2,1-3H3,(H,21,23)(H,22,24)