[2-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-thiophen-2-ylquinoline-4-carboxylate

Systemtic Name: [2-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: [2-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid [2-[1-(3,4-dimethylphenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid [2-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C30H26N2O3S MolecularWeight: 494.60404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=CC(=C2C)C(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=CC(=C2C)C(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5)C)C

InChI

InChI=1S/C30H26N2O3S/c1-18-11-12-22(14-19(18)2)32-20(3)15-24(21(32)4)28(33)17-35-30(34)25-16-27(29-10-7-13-36-29)31-26-9-6-5-8-23(25)26/h5-16H,17H2,1-4H3