dimethyl 5-azanyl-3-[(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-[(3-allyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanylmethyl]-5-amino-thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(7-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 3-[[(3-allyl-7-chloro-4-keto-quinazolin-2-yl)thio]methyl]-5-amino-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C20H18ClN3O5S2 MolecularWeight: 479.95702

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C)C(=O)OC)N

InChI

InChI=1S/C20H18ClN3O5S2/c1-4-7-24-17(25)11-6-5-10(21)8-13(11)23-20(24)30-9-12-14(18(26)28-2)16(22)31-15(12)19(27)29-3/h4-6,8H,1,7,9,22H2,2-3H3