[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-(4-methylquinolin-2-yl)sulfanylethanoate

Systemtic Name: [2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-(4-methylquinolin-2-yl)sulfanylethanoate Openeye Name: [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 2-[(4-methyl-2-quinolyl)sulfanyl]acetate CAS Name: 2-[(4-methyl-2-quinolinyl)thio]acetic acid [2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl] 2-(4-methylquinolin-2-yl)sulfanylacetate Traditional Name: 2-[(4-methyl-2-quinolyl)thio]acetic acid [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C23H24N2O3S MolecularWeight: 408.51326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2O3S/c1-5-10-25-16(3)12-19(17(25)4)21(26)13-28-23(27)14-29-22-11-15(2)18-8-6-7-9-20(18)24-22/h5-9,11-12H,1,10,13-14H2,2-4H3