dimethyl 5-azanyl-3-[(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[(3-cyclopentyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(3-cyclopentyl-4-oxo-2-quinazolinyl)thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[(3-cyclopentyl-4-keto-quinazolin-2-yl)thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C22H23N3O5S2 MolecularWeight: 473.56512

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1CSC2=NC3=CC=CC=C3C(=O)N2C4CCCC4)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1CSC2=NC3=CC=CC=C3C(=O)N2C4CCCC4)C(=O)OC)N

InChI

InChI=1S/C22H23N3O5S2/c1-29-20(27)16-14(17(21(28)30-2)32-18(16)23)11-31-22-24-15-10-6-5-9-13(15)19(26)25(22)12-7-3-4-8-12/h5-6,9-10,12H,3-4,7-8,11,23H2,1-2H3