methyl 5-[2-(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanylpropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-[2-(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanylpropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[2-(3-cyclopentyl-4-oxo-quinazolin-2-yl)sulfanylpropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[(3-cyclopentyl-4-oxo-2-quinazolinyl)thio]-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylpropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[(3-cyclopentyl-4-keto-quinazolin-2-yl)thio]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C4CCCC4

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C4CCCC4

InChI

InChI=1S/C24H27N3O4S/c1-13-19(23(30)31-4)14(2)25-20(13)21(28)15(3)32-24-26-18-12-8-7-11-17(18)22(29)27(24)16-9-5-6-10-16/h7-8,11-12,15-16,25H,5-6,9-10H2,1-4H3