methyl 2,4-dimethyl-5-(2-quinazolin-4-ylsulfanylpropanoyl)-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2,4-dimethyl-5-(2-quinazolin-4-ylsulfanylpropanoyl)-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-(2-quinazolin-4-ylsulfanylpropanoyl)-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[1-oxo-2-(4-quinazolinylthio)propyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-(2-quinazolin-4-ylsulfanylpropanoyl)-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[2-(quinazolin-4-ylthio)propanoyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C19H19N3O3S MolecularWeight: 369.43746

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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

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)SC2=NC=NC3=CC=CC=C32

InChI

InChI=1S/C19H19N3O3S/c1-10-15(19(24)25-4)11(2)22-16(10)17(23)12(3)26-18-13-7-5-6-8-14(13)20-9-21-18/h5-9,12,22H,1-4H3