methyl 6-[2,5-dimethyl-3-(2-quinazolin-4-ylsulfanylethanoyl)pyrrol-1-yl]hexanoate

Systemtic Name: methyl 6-[2,5-dimethyl-3-(2-quinazolin-4-ylsulfanylethanoyl)pyrrol-1-yl]hexanoate Openeye Name: methyl 6-[2,5-dimethyl-3-(2-quinazolin-4-ylsulfanylacetyl)pyrrol-1-yl]hexanoate CAS Name: 6-[2,5-dimethyl-3-[1-oxo-2-(4-quinazolinylthio)ethyl]-1-pyrrolyl]hexanoic acid methyl ester IUPAC Name: methyl 6-[2,5-dimethyl-3-(2-quinazolin-4-ylsulfanylacetyl)pyrrol-1-yl]hexanoate Traditional Name: 6-[2,5-dimethyl-3-[2-(quinazolin-4-ylthio)acetyl]pyrrol-1-yl]hexanoic acid methyl ester Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCCCCC(=O)OC)C)C(=O)CSC2=NC=NC3=CC=CC=C32

Isomeric SMILES

CC1=CC(=C(N1CCCCCC(=O)OC)C)C(=O)CSC2=NC=NC3=CC=CC=C32

InChI

InChI=1S/C23H27N3O3S/c1-16-13-19(17(2)26(16)12-8-4-5-11-22(28)29-3)21(27)14-30-23-18-9-6-7-10-20(18)24-15-25-23/h6-7,9-10,13,15H,4-5,8,11-12,14H2,1-3H3