methyl 3-[4-aminocarbonyl-1-(1,3-benzodioxol-5-ylmethyl)-5-methyl-3-thiophen-3-yl-pyrrol-2-yl]propanoate

Systemtic Name: methyl 3-[4-aminocarbonyl-1-(1,3-benzodioxol-5-ylmethyl)-5-methyl-3-thiophen-3-yl-pyrrol-2-yl]propanoate Openeye Name: methyl 3-[1-(1,3-benzodioxol-5-ylmethyl)-4-carbamoyl-5-methyl-3-(3-thienyl)pyrrol-2-yl]propanoate CAS Name: 3-[1-(1,3-benzodioxol-5-ylmethyl)-4-carbamoyl-5-methyl-3-(3-thiophenyl)-2-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[1-(1,3-benzodioxol-5-ylmethyl)-4-carbamoyl-5-methyl-3-thiophen-3-ylpyrrol-2-yl]propanoate Traditional Name: 3-[4-carbamoyl-5-methyl-1-piperonyl-3-(3-thienyl)pyrrol-2-yl]propionic acid methyl ester Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CC2=CC3=C(C=C2)OCO3)CCC(=O)OC)C4=CSC=C4)C(=O)N

Isomeric SMILES

CC1=C(C(=C(N1CC2=CC3=C(C=C2)OCO3)CCC(=O)OC)C4=CSC=C4)C(=O)N

InChI

InChI=1S/C22H22N2O5S/c1-13-20(22(23)26)21(15-7-8-30-11-15)16(4-6-19(25)27-2)24(13)10-14-3-5-17-18(9-14)29-12-28-17/h3,5,7-9,11H,4,6,10,12H2,1-2H3,(H2,23,26)