methyl 4-[2,5-dimethyl-3-[2-(4-methylquinolin-2-yl)sulfanylethanoyl]pyrrol-1-yl]benzoate

Systemtic Name: methyl 4-[2,5-dimethyl-3-[2-(4-methylquinolin-2-yl)sulfanylethanoyl]pyrrol-1-yl]benzoate Openeye Name: methyl 4-[2,5-dimethyl-3-[2-[(4-methyl-2-quinolyl)sulfanyl]acetyl]pyrrol-1-yl]benzoate CAS Name: 4-[2,5-dimethyl-3-[2-[(4-methyl-2-quinolinyl)thio]-1-oxoethyl]-1-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2,5-dimethyl-3-[2-(4-methylquinolin-2-yl)sulfanylacetyl]pyrrol-1-yl]benzoate Traditional Name: 4-[2,5-dimethyl-3-[2-[(4-methyl-2-quinolyl)thio]acetyl]pyrrol-1-yl]benzoic acid methyl ester Formula: C26H24N2O3S MolecularWeight: 444.54536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)C3=C(N(C(=C3)C)C4=CC=C(C=C4)C(=O)OC)C

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)C3=C(N(C(=C3)C)C4=CC=C(C=C4)C(=O)OC)C

InChI

InChI=1S/C26H24N2O3S/c1-16-13-25(27-23-8-6-5-7-21(16)23)32-15-24(29)22-14-17(2)28(18(22)3)20-11-9-19(10-12-20)26(30)31-4/h5-14H,15H2,1-4H3