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

Systemtic Name: methyl 5-[2-(2-cyclopropylquinazolin-4-yl)sulfanylpropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[2-(2-cyclopropylquinazolin-4-yl)sulfanylpropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[(2-cyclopropyl-4-quinazolinyl)thio]-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[2-(2-cyclopropylquinazolin-4-yl)sulfanylpropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[(2-cyclopropylquinazolin-4-yl)thio]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)SC2=NC(=NC3=CC=CC=C32)C4CC4

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)SC2=NC(=NC3=CC=CC=C32)C4CC4

InChI

InChI=1S/C22H23N3O3S/c1-11-17(22(27)28-4)12(2)23-18(11)19(26)13(3)29-21-15-7-5-6-8-16(15)24-20(25-21)14-9-10-14/h5-8,13-14,23H,9-10H2,1-4H3