ethyl 2,4-dimethyl-5-[(2S)-2-quinazolin-4-ylsulfanylpropanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-[(2S)-2-quinazolin-4-ylsulfanylpropanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[(2S)-2-quinazolin-4-ylsulfanylpropanoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[(2S)-1-oxo-2-(4-quinazolinylthio)propyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[(2S)-2-quinazolin-4-ylsulfanylpropanoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[(2S)-2-(quinazolin-4-ylthio)propanoyl]-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)C(C)SC2=NC=NC3=CC=CC=C32)C

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O3S/c1-5-26-20(25)16-11(2)17(23-12(16)3)18(24)13(4)27-19-14-8-6-7-9-15(14)21-10-22-19/h6-10,13,23H,5H2,1-4H3/t13-/m0/s1