ethyl 5-azanyl-3-[(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylmethyl]-4-cyano-thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-3-[(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylmethyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 3-[(3-allyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanylmethyl]-5-amino-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[(7-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylmethyl]-4-cyanothiophene-2-carboxylate Traditional Name: 3-[[(3-allyl-7-chloro-4-keto-quinazolin-2-yl)thio]methyl]-5-amino-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C20H17ClN4O3S2 MolecularWeight: 460.95698

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C

InChI

InChI=1S/C20H17ClN4O3S2/c1-3-7-25-18(26)12-6-5-11(21)8-15(12)24-20(25)29-10-14-13(9-22)17(23)30-16(14)19(27)28-4-2/h3,5-6,8H,1,4,7,10,23H2,2H3