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

Systemtic Name: ethyl 3,5-dimethyl-4-[2-[4-oxidanylidene-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylethanoyl]-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[2-[3-(3-isopropoxypropyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-[1-oxo-2-[[4-oxo-3-(3-propan-2-yloxypropyl)-2-quinazolinyl]thio]ethyl]-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-4-[2-[4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylacetyl]-1H-pyrrole-2-carboxylate Traditional Name: 4-[2-[[3-(3-isopropoxypropyl)-4-keto-quinazolin-2-yl]thio]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C25H31N3O5S MolecularWeight: 485.59574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCOC(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCOC(C)C)C

InChI

InChI=1S/C25H31N3O5S/c1-6-32-24(31)22-16(4)21(17(5)26-22)20(29)14-34-25-27-19-11-8-7-10-18(19)23(30)28(25)12-9-13-33-15(2)3/h7-8,10-11,15,26H,6,9,12-14H2,1-5H3