[(2S)-1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 3-(thiophen-2-ylcarbonylamino)benzoate

Systemtic Name: [(2S)-1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 3-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: [(1S)-2-(4-ethylphenyl)-1-methyl-2-oxo-ethyl] 3-(thiophene-2-carbonylamino)benzoate CAS Name: 3-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 3-(thiophene-2-carbonylamino)benzoate Traditional Name: 3-(2-thenoylamino)benzoic acid [(1S)-2-(4-ethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C23H21NO4S MolecularWeight: 407.48214

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CS3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C23H21NO4S/c1-3-16-9-11-17(12-10-16)21(25)15(2)28-23(27)18-6-4-7-19(14-18)24-22(26)20-8-5-13-29-20/h4-15H,3H2,1-2H3,(H,24,26)/t15-/m0/s1