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

Systemtic Name: diethyl 5-azanyl-3-[(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: diethyl 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 diethyl ester IUPAC Name: diethyl 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 diethyl ester Formula: C22H23N3O5S2 MolecularWeight: 473.56512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CSC2=NC3=CC=CC=C3C(=O)N2CC=C)C(=O)OCC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CSC2=NC3=CC=CC=C3C(=O)N2CC=C)C(=O)OCC)N

InChI

InChI=1S/C22H23N3O5S2/c1-4-11-25-19(26)13-9-7-8-10-15(13)24-22(25)31-12-14-16(20(27)29-5-2)18(23)32-17(14)21(28)30-6-3/h4,7-10H,1,5-6,11-12,23H2,2-3H3