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

Systemtic Name: methyl 3-[4-(4-oxidanylidenequinazolin-3-yl)butanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[4-(4-oxoquinazolin-3-yl)butanoylamino]thiophene-2-carboxylate CAS Name: 3-[[1-oxo-4-(4-oxo-3-quinazolinyl)butyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-(4-oxoquinazolin-3-yl)butanoylamino]thiophene-2-carboxylate Traditional Name: 3-[4-(4-ketoquinazolin-3-yl)butanoylamino]thiophene-2-carboxylic acid methyl ester Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)CCCN2C=NC3=CC=CC=C3C2=O

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)CCCN2C=NC3=CC=CC=C3C2=O

InChI

InChI=1S/C18H17N3O4S/c1-25-18(24)16-14(8-10-26-16)20-15(22)7-4-9-21-11-19-13-6-3-2-5-12(13)17(21)23/h2-3,5-6,8,10-11H,4,7,9H2,1H3,(H,20,22)