ethyl 2-[3-(4-oxidanylidenequinazolin-3-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[3-(4-oxidanylidenequinazolin-3-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[3-(4-oxoquinazolin-3-yl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[1-oxo-3-(4-oxo-3-quinazolinyl)propyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(4-oxoquinazolin-3-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[3-(4-ketoquinazolin-3-yl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C22H23N3O4S/c1-2-29-22(28)19-15-8-4-6-10-17(15)30-20(19)24-18(26)11-12-25-13-23-16-9-5-3-7-14(16)21(25)27/h3,5,7,9,13H,2,4,6,8,10-12H2,1H3,(H,24,26)