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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(3-cyclopentyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(3-cyclopentyl-4-oxo-2-quinazolinyl)thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[(3-cyclopentyl-4-keto-quinazolin-2-yl)thio]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C22H22N4O3S2 MolecularWeight: 454.56508

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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)N2C4CCCC4

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC3=CC=CC=C3C(=O)N2C4CCCC4

InChI

InChI=1S/C22H22N4O3S2/c1-2-29-21(28)18-16(15(11-23)19(24)31-18)12-30-22-25-17-10-6-5-9-14(17)20(27)26(22)13-7-3-4-8-13/h5-6,9-10,13H,2-4,7-8,12,24H2,1H3