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

Systemtic Name: dimethyl 5-azanyl-3-[(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-[(3-allyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]-5-amino-thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 3-[[(3-allyl-4-keto-quinazolin-2-yl)thio]methyl]-5-amino-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C20H19N3O5S2 MolecularWeight: 445.51196

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1CSC2=NC3=CC=CC=C3C(=O)N2CC=C)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1CSC2=NC3=CC=CC=C3C(=O)N2CC=C)C(=O)OC)N

InChI

InChI=1S/C20H19N3O5S2/c1-4-9-23-17(24)11-7-5-6-8-13(11)22-20(23)29-10-12-14(18(25)27-2)16(21)30-15(12)19(26)28-3/h4-8H,1,9-10,21H2,2-3H3