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

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-(5-methyl-2-thiophen-2-yl-1H-indol-3-yl)propanoate Openeye Name: [2-(2-cyanoethylamino)-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-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-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-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2CCC(=O)OCC(=O)NCCC#N)C3=CC=CS3

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2CCC(=O)OCC(=O)NCCC#N)C3=CC=CS3

InChI

InChI=1S/C21H21N3O3S/c1-14-5-7-17-16(12-14)15(21(24-17)18-4-2-11-28-18)6-8-20(26)27-13-19(25)23-10-3-9-22/h2,4-5,7,11-12,24H,3,6,8,10,13H2,1H3,(H,23,25)