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

Systemtic Name: ethyl 2,4-dimethyl-5-[2-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanylethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-(3-benzyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[1-oxo-2-[[4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]ethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[(3-benzyl-4-keto-quinazolin-2-yl)thio]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C26H25N3O4S MolecularWeight: 475.5594

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4)C

InChI

InChI=1S/C26H25N3O4S/c1-4-33-25(32)22-16(2)23(27-17(22)3)21(30)15-34-26-28-20-13-9-8-12-19(20)24(31)29(26)14-18-10-6-5-7-11-18/h5-13,27H,4,14-15H2,1-3H3