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

Systemtic Name: [2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 4-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: [2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl] 4-(thiophene-2-carbonylamino)benzoate CAS Name: 4-[[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-(thiophene-2-carbonylamino)benzoate Traditional Name: 4-(2-thenoylamino)benzoic acid [2-keto-2-[[(1S)-1-methylpropyl]amino]ethyl] ester Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O4S/c1-3-12(2)19-16(21)11-24-18(23)13-6-8-14(9-7-13)20-17(22)15-5-4-10-25-15/h4-10,12H,3,11H2,1-2H3,(H,19,21)(H,20,22)/t12-/m0/s1