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

Systemtic Name: ethyl 2,4-dimethyl-5-[2-(2-methylquinazolin-4-yl)sulfanylethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[2-[(2-methyl-4-quinazolinyl)thio]-1-oxoethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[2-[(2-methylquinazolin-4-yl)thio]acetyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=NC(=NC3=CC=CC=C32)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=NC(=NC3=CC=CC=C32)C)C

InChI

InChI=1S/C20H21N3O3S/c1-5-26-20(25)17-11(2)18(21-12(17)3)16(24)10-27-19-14-8-6-7-9-15(14)22-13(4)23-19/h6-9,21H,5,10H2,1-4H3