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

Systemtic Name: [2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate Openeye Name: [2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl] (2S)-3-methyl-2-(thiophene-2-carbonylamino)butanoate CAS Name: (2S)-3-methyl-2-[[oxo(thiophen-2-yl)methyl]amino]butanoic acid [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] (2S)-3-methyl-2-(thiophene-2-carbonylamino)butanoate Traditional Name: (2S)-3-methyl-2-(2-thenoylamino)butyric acid [2-keto-2-(2-methyl-1H-indol-3-yl)ethyl] ester Formula: C21H22N2O4S MolecularWeight: 398.47538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)COC(=O)C(C(C)C)NC(=O)C3=CC=CS3

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)COC(=O)[C@H](C(C)C)NC(=O)C3=CC=CS3

InChI

InChI=1S/C21H22N2O4S/c1-12(2)19(23-20(25)17-9-6-10-28-17)21(26)27-11-16(24)18-13(3)22-15-8-5-4-7-14(15)18/h4-10,12,19,22H,11H2,1-3H3,(H,23,25)/t19-/m0/s1