[2-[3-[methyl(phenyl)amino]propylamino]-2-oxidanylidene-ethyl] 1-benzothiophene-2-carboxylate

Systemtic Name: [2-[3-[methyl(phenyl)amino]propylamino]-2-oxidanylidene-ethyl] 1-benzothiophene-2-carboxylate Openeye Name: [2-[3-(N-methylanilino)propylamino]-2-oxo-ethyl] benzothiophene-2-carboxylate CAS Name: 1-benzothiophene-2-carboxylic acid [2-[3-(N-methylanilino)propylamino]-2-oxoethyl] ester IUPAC Name: [2-[3-(N-methylanilino)propylamino]-2-oxoethyl] 1-benzothiophene-2-carboxylate Traditional Name: benzothiophene-2-carboxylic acid [2-keto-2-[3-(N-methylanilino)propylamino]ethyl] ester Formula: C21H22N2O3S MolecularWeight: 382.47598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC(=O)COC(=O)C1=CC2=CC=CC=C2S1)C3=CC=CC=C3

Isomeric SMILES

CN(CCCNC(=O)COC(=O)C1=CC2=CC=CC=C2S1)C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O3S/c1-23(17-9-3-2-4-10-17)13-7-12-22-20(24)15-26-21(25)19-14-16-8-5-6-11-18(16)27-19/h2-6,8-11,14H,7,12-13,15H2,1H3,(H,22,24)