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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 3-[(3-allyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]-5-amino-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 3-[[(3-allyl-4-keto-quinazolin-2-yl)thio]methyl]-5-amino-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C20H18N4O3S2 MolecularWeight: 426.51192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC3=CC=CC=C3C(=O)N2CC=C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC3=CC=CC=C3C(=O)N2CC=C

InChI

InChI=1S/C20H18N4O3S2/c1-3-9-24-18(25)12-7-5-6-8-15(12)23-20(24)28-11-14-13(10-21)17(22)29-16(14)19(26)27-4-2/h3,5-8H,1,4,9,11,22H2,2H3