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

Systemtic Name: methyl 2,4-dimethyl-5-[2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanylpropanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-[2-(3-methyl-4-oxo-quinazolin-2-yl)sulfanylpropanoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[2-[(3-methyl-4-oxo-2-quinazolinyl)thio]-1-oxopropyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanoyl]-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[(4-keto-3-methyl-quinazolin-2-yl)thio]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C

InChI

InChI=1S/C20H21N3O4S/c1-10-15(19(26)27-5)11(2)21-16(10)17(24)12(3)28-20-22-14-9-7-6-8-13(14)18(25)23(20)4/h6-9,12,21H,1-5H3