methyl 3-[4-aminocarbonyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1-(2-thiophen-2-ylethyl)pyrrol-2-yl]propanoate

Systemtic Name: methyl 3-[4-aminocarbonyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1-(2-thiophen-2-ylethyl)pyrrol-2-yl]propanoate Openeye Name: methyl 3-[4-carbamoyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1-[2-(2-thienyl)ethyl]pyrrol-2-yl]propanoate CAS Name: 3-[4-carbamoyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1-(2-thiophen-2-ylethyl)-2-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-carbamoyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1-(2-thiophen-2-ylethyl)pyrrol-2-yl]propanoate Traditional Name: 3-[4-carbamoyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1-[2-(2-thienyl)ethyl]pyrrol-2-yl]propionic acid methyl ester Formula: C24H26N2O5S MolecularWeight: 454.53864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CCC2=CC=CS2)CCC(=O)OC)C3=CC4=C(C=C3)OCCO4)C(=O)N

Isomeric SMILES

CC1=C(C(=C(N1CCC2=CC=CS2)CCC(=O)OC)C3=CC4=C(C=C3)OCCO4)C(=O)N

InChI

InChI=1S/C24H26N2O5S/c1-15-22(24(25)28)23(16-5-7-19-20(14-16)31-12-11-30-19)18(6-8-21(27)29-2)26(15)10-9-17-4-3-13-32-17/h3-5,7,13-14H,6,8-12H2,1-2H3,(H2,25,28)