[2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-azanyl-3-methylsulfanyl-benzoate

Systemtic Name: [2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-azanyl-3-methylsulfanyl-benzoate Openeye Name: [2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 4-amino-3-methylsulfanyl-benzoate CAS Name: 4-amino-3-(methylthio)benzoic acid [2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 4-amino-3-methylsulfanylbenzoate Traditional Name: 4-amino-3-(methylthio)benzoic acid [2-(2,5-dimethyl-1-piperonyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C24H24N2O5S MolecularWeight: 452.52276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)COC(=O)C4=CC(=C(C=C4)N)SC

Isomeric SMILES

CC1=CC(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)COC(=O)C4=CC(=C(C=C4)N)SC

InChI

InChI=1S/C24H24N2O5S/c1-14-8-18(15(2)26(14)11-16-4-7-21-22(9-16)31-13-30-21)20(27)12-29-24(28)17-5-6-19(25)23(10-17)32-3/h4-10H,11-13,25H2,1-3H3