dimethyl 5-[2-(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(3-cyclopentyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[(3-cyclopentyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[(3-cyclopentyl-4-keto-quinazolin-2-yl)thio]acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C25H25N3O6S MolecularWeight: 495.5475

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4CCCC4)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4CCCC4)C(=O)OC

InChI

InChI=1S/C25H25N3O6S/c1-33-23(31)15-11-16(24(32)34-2)13-17(12-15)26-21(29)14-35-25-27-20-10-6-5-9-19(20)22(30)28(25)18-7-3-4-8-18/h5-6,9-13,18H,3-4,7-8,14H2,1-2H3,(H,26,29)