[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 3-(5-methyl-2-thiophen-2-yl-1H-indol-3-yl)propanoate

Systemtic Name: [2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 3-(5-methyl-2-thiophen-2-yl-1H-indol-3-yl)propanoate Openeye Name: [2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl] 3-[5-methyl-2-(2-thienyl)-1H-indol-3-yl]propanoate CAS Name: 3-(5-methyl-2-thiophen-2-yl-1H-indol-3-yl)propanoic acid [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 3-(5-methyl-2-thiophen-2-yl-1H-indol-3-yl)propanoate Traditional Name: 3-[5-methyl-2-(2-thienyl)-1H-indol-3-yl]propionic acid [2-keto-2-[[(1S)-1-methylpropyl]amino]ethyl] ester Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC(=O)CCC1=C(NC2=C1C=C(C=C2)C)C3=CC=CS3

Isomeric SMILES

CC[C@H](C)NC(=O)COC(=O)CCC1=C(NC2=C1C=C(C=C2)C)C3=CC=CS3

InChI

InChI=1S/C22H26N2O3S/c1-4-15(3)23-20(25)13-27-21(26)10-8-16-17-12-14(2)7-9-18(17)24-22(16)19-6-5-11-28-19/h5-7,9,11-12,15,24H,4,8,10,13H2,1-3H3,(H,23,25)/t15-/m0/s1