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

Systemtic Name: ethyl 2,4-dimethyl-5-[(2S)-2-(2-methylquinazolin-4-yl)sulfanylpropanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H23N3O3S MolecularWeight: 397.49062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)SC2=NC(=NC3=CC=CC=C32)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)[C@H](C)SC2=NC(=NC3=CC=CC=C32)C)C

InChI

InChI=1S/C21H23N3O3S/c1-6-27-21(26)17-11(2)18(22-12(17)3)19(25)13(4)28-20-15-9-7-8-10-16(15)23-14(5)24-20/h7-10,13,22H,6H2,1-5H3/t13-/m0/s1