methyl 3-[3-(4-oxidanylidenequinazolin-3-yl)propanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[3-(4-oxidanylidenequinazolin-3-yl)propanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[3-(4-oxoquinazolin-3-yl)propanoylamino]thiophene-2-carboxylate CAS Name: 3-[[1-oxo-3-(4-oxo-3-quinazolinyl)propyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[3-(4-oxoquinazolin-3-yl)propanoylamino]thiophene-2-carboxylate Traditional Name: 3-[3-(4-ketoquinazolin-3-yl)propanoylamino]thiophene-2-carboxylic acid methyl ester Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)CCN2C=NC3=CC=CC=C3C2=O

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)CCN2C=NC3=CC=CC=C3C2=O

InChI

InChI=1S/C17H15N3O4S/c1-24-17(23)15-13(7-9-25-15)19-14(21)6-8-20-10-18-12-5-3-2-4-11(12)16(20)22/h2-5,7,9-10H,6,8H2,1H3,(H,19,21)