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

Systemtic Name: [(2S)-1-[2-cyanoethyl(methyl)amino]-1-oxidanylidene-propan-2-yl] 3-(5-methyl-2-thiophen-2-yl-1H-indol-3-yl)propanoate Openeye Name: [(1S)-2-[2-cyanoethyl(methyl)amino]-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-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[2-cyanoethyl(methyl)amino]-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-[2-cyanoethyl(methyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2CCC(=O)OC(C)C(=O)N(C)CCC#N)C3=CC=CS3

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O3S/c1-15-7-9-19-18(14-15)17(22(25-19)20-6-4-13-30-20)8-10-21(27)29-16(2)23(28)26(3)12-5-11-24/h4,6-7,9,13-14,16,25H,5,8,10,12H2,1-3H3/t16-/m0/s1