1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(7-methoxy-4-methyl-quinolin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(7-methoxy-4-methyl-quinolin-2-yl)sulfanyl-ethanone Openeye Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(7-methoxy-4-methyl-2-quinolyl)sulfanyl]ethanone CAS Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(7-methoxy-4-methyl-2-quinolinyl)thio]ethanone IUPAC Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylethanone Traditional Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(7-methoxy-4-methyl-2-quinolyl)thio]ethanone Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=CC(=C2)OC)SCC(=O)C3=C(C(=C(N3)C)C(=O)C)C

Isomeric SMILES

CC1=CC(=NC2=C1C=CC(=C2)OC)SCC(=O)C3=C(C(=C(N3)C)C(=O)C)C

InChI

InChI=1S/C21H22N2O3S/c1-11-8-19(23-17-9-15(26-5)6-7-16(11)17)27-10-18(25)21-12(2)20(14(4)24)13(3)22-21/h6-9,22H,10H2,1-5H3