1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(7-methoxy-4-methyl-quinolin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(7-methoxy-4-methyl-quinolin-2-yl)sulfanyl-ethanone Openeye Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-[(7-methoxy-4-methyl-2-quinolyl)sulfanyl]ethanone CAS Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-[(7-methoxy-4-methyl-2-quinolinyl)thio]ethanone IUPAC Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylethanone Traditional Name: 1-(2,5-dimethyl-1-piperonyl-pyrrol-3-yl)-2-[(7-methoxy-4-methyl-2-quinolyl)thio]ethanone Formula: C27H26N2O4S MolecularWeight: 474.57134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=CC(=C2)OC)SCC(=O)C3=C(N(C(=C3)C)CC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1=CC(=NC2=C1C=CC(=C2)OC)SCC(=O)C3=C(N(C(=C3)C)CC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C27H26N2O4S/c1-16-9-27(28-23-12-20(31-4)6-7-21(16)23)34-14-24(30)22-10-17(2)29(18(22)3)13-19-5-8-25-26(11-19)33-15-32-25/h5-12H,13-15H2,1-4H3