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

Systemtic Name: [(2S)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 3-(5-methyl-2-thiophen-2-yl-1H-indol-3-yl)propanoate Openeye Name: [(1S)-2-(allylamino)-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-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(prop-2-enylamino)propan-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-(allylamino)-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)NCC=C)C3=CC=CS3

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2CCC(=O)O[C@@H](C)C(=O)NCC=C)C3=CC=CS3

InChI

InChI=1S/C22H24N2O3S/c1-4-11-23-22(26)15(3)27-20(25)10-8-16-17-13-14(2)7-9-18(17)24-21(16)19-6-5-12-28-19/h4-7,9,12-13,15,24H,1,8,10-11H2,2-3H3,(H,23,26)/t15-/m0/s1