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

Systemtic Name: ethyl 2,4-dimethyl-5-[2-[4-oxidanylidene-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylpropanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-[3-(3-isopropoxypropyl)-4-oxo-quinazolin-2-yl]sulfanylpropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[1-oxo-2-[[4-oxo-3-(3-propan-2-yloxypropyl)-2-quinazolinyl]thio]propyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[2-[4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylpropanoyl]-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[[3-(3-isopropoxypropyl)-4-keto-quinazolin-2-yl]thio]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C26H33N3O5S MolecularWeight: 499.62232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CCCOC(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CCCOC(C)C)C

InChI

InChI=1S/C26H33N3O5S/c1-7-33-25(32)21-16(4)22(27-17(21)5)23(30)18(6)35-26-28-20-12-9-8-11-19(20)24(31)29(26)13-10-14-34-15(2)3/h8-9,11-12,15,18,27H,7,10,13-14H2,1-6H3