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

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 3-(5-methyl-2-thiophen-2-yl-1H-indol-3-yl)propanoate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-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-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-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-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O3S/c1-15-6-8-18-17(13-15)16(22(24-18)19-5-3-12-29-19)7-9-21(27)28-14-20(26)25(2)11-4-10-23/h3,5-6,8,12-13,24H,4,7,9,11,14H2,1-2H3