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

Systemtic Name: ethyl 5-[(2S)-2-[3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(2S)-2-[3-(2-furylmethyl)-4-oxo-quinazolin-2-yl]sulfanylpropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(2S)-2-[[3-(2-furanylmethyl)-4-oxo-2-quinazolinyl]thio]-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2S)-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylpropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(2S)-2-[[3-(2-furfuryl)-4-keto-quinazolin-2-yl]thio]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C25H25N3O5S MolecularWeight: 479.5481

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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)N2CC4=CC=CO4)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)[C@H](C)SC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CO4)C

InChI

InChI=1S/C25H25N3O5S/c1-5-32-24(31)20-14(2)21(26-15(20)3)22(29)16(4)34-25-27-19-11-7-6-10-18(19)23(30)28(25)13-17-9-8-12-33-17/h6-12,16,26H,5,13H2,1-4H3/t16-/m0/s1