methyl 5-[(2S)-2-(7-chloranyl-4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanylpropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-[(2S)-2-(7-chloranyl-4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanylpropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[(2S)-2-(7-chloro-3-isopropyl-4-oxo-quinazolin-2-yl)sulfanylpropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(2S)-2-[(7-chloro-4-oxo-3-propan-2-yl-2-quinazolinyl)thio]-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[(2S)-2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(2S)-2-[(7-chloro-3-isopropyl-4-keto-quinazolin-2-yl)thio]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C22H24ClN3O4S MolecularWeight: 461.96166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2C(C)C

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)[C@H](C)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2C(C)C

InChI

InChI=1S/C22H24ClN3O4S/c1-10(2)26-20(28)15-8-7-14(23)9-16(15)25-22(26)31-13(5)19(27)18-11(3)17(12(4)24-18)21(29)30-6/h7-10,13,24H,1-6H3/t13-/m0/s1