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

Systemtic Name: ethyl 5-[2-[3-[2,4-bis(fluoranyl)phenyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-[3-(2,4-difluorophenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[[3-(2,4-difluorophenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-[3-(2,4-difluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[[3-(2,4-difluorophenyl)-4-keto-quinazolin-2-yl]thio]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C25H21F2N3O4S MolecularWeight: 497.513746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=C(C=C(C=C4)F)F)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=C(C=C(C=C4)F)F)C

InChI

InChI=1S/C25H21F2N3O4S/c1-4-34-24(33)21-13(2)22(28-14(21)3)20(31)12-35-25-29-18-8-6-5-7-16(18)23(32)30(25)19-10-9-15(26)11-17(19)27/h5-11,28H,4,12H2,1-3H3