[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-(thiophen-2-ylcarbonylamino)benzoate

Systemtic Name: [2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: [2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl] 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate CAS Name: 4,5-dimethoxy-2-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate Traditional Name: 4,5-dimethoxy-2-(2-thenoylamino)benzoic acid [2-keto-2-[[(1S)-1-methylpropyl]amino]ethyl] ester Formula: C20H24N2O6S MolecularWeight: 420.47936

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC(=O)C1=CC(=C(C=C1NC(=O)C2=CC=CS2)OC)OC

Isomeric SMILES

CC[C@H](C)NC(=O)COC(=O)C1=CC(=C(C=C1NC(=O)C2=CC=CS2)OC)OC

InChI

InChI=1S/C20H24N2O6S/c1-5-12(2)21-18(23)11-28-20(25)13-9-15(26-3)16(27-4)10-14(13)22-19(24)17-7-6-8-29-17/h6-10,12H,5,11H2,1-4H3,(H,21,23)(H,22,24)/t12-/m0/s1