2-[2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]sulfanyl-N-(2-methoxyphenyl)quinoline-4-carboxamide

Systemtic Name: 2-[2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]sulfanyl-N-(2-methoxyphenyl)quinoline-4-carboxamide Openeye Name: 2-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl]sulfanyl-N-(2-methoxyphenyl)quinoline-4-carboxamide CAS Name: 2-[[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]thio]-N-(2-methoxyphenyl)-4-quinolinecarboxamide IUPAC Name: 2-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)quinoline-4-carboxamide Traditional Name: 2-[[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl]thio]-N-(2-methoxyphenyl)cinchoninamide Formula: C27H25N3O4S MolecularWeight: 487.5701

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=CC=C4OC

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=CC=C4OC

InChI

InChI=1S/C27H25N3O4S/c1-15-25(17(3)31)16(2)28-26(15)22(32)14-35-24-13-19(18-9-5-6-10-20(18)29-24)27(33)30-21-11-7-8-12-23(21)34-4/h5-13,28H,14H2,1-4H3,(H,30,33)