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

Systemtic Name: [(2S)-1-(dimethylamino)-1-oxidanylidene-propan-2-yl] 3-(5-methyl-2-thiophen-2-yl-1H-indol-3-yl)propanoate Openeye Name: [(1S)-2-(dimethylamino)-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-(dimethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(dimethylamino)-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-(dimethylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H24N2O3S MolecularWeight: 384.49186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O3S/c1-13-7-9-17-16(12-13)15(20(22-17)18-6-5-11-27-18)8-10-19(24)26-14(2)21(25)23(3)4/h5-7,9,11-12,14,22H,8,10H2,1-4H3/t14-/m0/s1