[(2R)-1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] (2R)-3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate

Systemtic Name: [(2R)-1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] (2R)-3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate Openeye Name: [(1R)-2-(1H-indol-3-yl)-1-methyl-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 [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] (2R)-3-methyl-2-(thiophene-2-carbonylamino)butanoate Traditional Name: (2R)-3-methyl-2-(2-thenoylamino)butyric acid [(1R)-2-(1H-indol-3-yl)-2-keto-1-methyl-ethyl] ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C)C(=O)C1=CNC2=CC=CC=C21)NC(=O)C3=CC=CS3

Isomeric SMILES

C[C@H](C(=O)C1=CNC2=CC=CC=C21)OC(=O)[C@@H](C(C)C)NC(=O)C3=CC=CS3

InChI

InChI=1S/C21H22N2O4S/c1-12(2)18(23-20(25)17-9-6-10-28-17)21(26)27-13(3)19(24)15-11-22-16-8-5-4-7-14(15)16/h4-13,18,22H,1-3H3,(H,23,25)/t13-,18-/m1/s1