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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[4-oxidanylidene-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[3-(3-isopropoxypropyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[[4-oxo-3-(3-propan-2-yloxypropyl)-2-quinazolinyl]thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[[3-(3-isopropoxypropyl)-4-keto-quinazolin-2-yl]thio]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C23H26N4O4S2 MolecularWeight: 486.60694

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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)N2CCCOC(C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC3=CC=CC=C3C(=O)N2CCCOC(C)C

InChI

InChI=1S/C23H26N4O4S2/c1-4-30-22(29)19-17(16(12-24)20(25)33-19)13-32-23-26-18-9-6-5-8-15(18)21(28)27(23)10-7-11-31-14(2)3/h5-6,8-9,14H,4,7,10-11,13,25H2,1-3H3