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

Systemtic Name: methyl 2,4-dimethyl-5-[(2S)-2-(2-methylquinazolin-4-yl)sulfanylpropanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-[(2S)-2-(2-methylquinazolin-4-yl)sulfanylpropanoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[(2S)-2-[(2-methyl-4-quinazolinyl)thio]-1-oxopropyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[(2S)-2-(2-methylquinazolin-4-yl)sulfanylpropanoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[(2S)-2-[(2-methylquinazolin-4-yl)thio]propanoyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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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)C

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)[C@H](C)SC2=NC(=NC3=CC=CC=C32)C

InChI

InChI=1S/C20H21N3O3S/c1-10-16(20(25)26-5)11(2)21-17(10)18(24)12(3)27-19-14-8-6-7-9-15(14)22-13(4)23-19/h6-9,12,21H,1-5H3/t12-/m0/s1