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

Systemtic Name: methyl 4-[2,5-dimethyl-3-(2-quinazolin-4-ylsulfanylethanoyl)pyrrol-1-yl]benzoate Openeye Name: methyl 4-[2,5-dimethyl-3-(2-quinazolin-4-ylsulfanylacetyl)pyrrol-1-yl]benzoate CAS Name: 4-[2,5-dimethyl-3-[1-oxo-2-(4-quinazolinylthio)ethyl]-1-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2,5-dimethyl-3-(2-quinazolin-4-ylsulfanylacetyl)pyrrol-1-yl]benzoate Traditional Name: 4-[2,5-dimethyl-3-[2-(quinazolin-4-ylthio)acetyl]pyrrol-1-yl]benzoic acid methyl ester Formula: C24H21N3O3S MolecularWeight: 431.50684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)CSC3=NC=NC4=CC=CC=C43

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)CSC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C24H21N3O3S/c1-15-12-20(16(2)27(15)18-10-8-17(9-11-18)24(29)30-3)22(28)13-31-23-19-6-4-5-7-21(19)25-14-26-23/h4-12,14H,13H2,1-3H3