ethyl 5-(4-methoxyphenyl)-3-[4-(4-oxidanylidenequinazolin-3-yl)butanoylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 5-(4-methoxyphenyl)-3-[4-(4-oxidanylidenequinazolin-3-yl)butanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 5-(4-methoxyphenyl)-3-[4-(4-oxoquinazolin-3-yl)butanoylamino]thiophene-2-carboxylate CAS Name: 5-(4-methoxyphenyl)-3-[[1-oxo-4-(4-oxo-3-quinazolinyl)butyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-methoxyphenyl)-3-[4-(4-oxoquinazolin-3-yl)butanoylamino]thiophene-2-carboxylate Traditional Name: 3-[4-(4-ketoquinazolin-3-yl)butanoylamino]-5-(4-methoxyphenyl)thiophene-2-carboxylic acid ethyl ester Formula: C26H25N3O5S MolecularWeight: 491.5588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)OC)NC(=O)CCCN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)OC)NC(=O)CCCN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C26H25N3O5S/c1-3-34-26(32)24-21(15-22(35-24)17-10-12-18(33-2)13-11-17)28-23(30)9-6-14-29-16-27-20-8-5-4-7-19(20)25(29)31/h4-5,7-8,10-13,15-16H,3,6,9,14H2,1-2H3,(H,28,30)