[(2S)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 3-(5-methyl-2-thiophen-2-yl-1H-indol-3-yl)propanoate

Systemtic Name: [(2S)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 3-(5-methyl-2-thiophen-2-yl-1H-indol-3-yl)propanoate Openeye Name: [(1S)-2-(cyclopropylamino)-1-methyl-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 [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 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 [(1S)-2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2CCC(=O)OC(C)C(=O)NC3CC3)C4=CC=CS4

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2CCC(=O)O[C@@H](C)C(=O)NC3CC3)C4=CC=CS4

InChI

InChI=1S/C22H24N2O3S/c1-13-5-9-18-17(12-13)16(21(24-18)19-4-3-11-28-19)8-10-20(25)27-14(2)22(26)23-15-6-7-15/h3-5,9,11-12,14-15,24H,6-8,10H2,1-2H3,(H,23,26)/t14-/m0/s1