quinolin-8-ylmethyl 4-oxidanylidene-4-thiophen-2-yl-butanoate

Systemtic Name: quinolin-8-ylmethyl 4-oxidanylidene-4-thiophen-2-yl-butanoate Openeye Name: 8-quinolylmethyl 4-oxo-4-(2-thienyl)butanoate CAS Name: 4-oxo-4-thiophen-2-ylbutanoic acid 8-quinolinylmethyl ester IUPAC Name: quinolin-8-ylmethyl 4-oxo-4-thiophen-2-ylbutanoate Traditional Name: 4-keto-4-(2-thienyl)butyric acid 8-quinolylmethyl ester Formula: C18H15NO3S MolecularWeight: 325.3816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)COC(=O)CCC(=O)C3=CC=CS3)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)COC(=O)CCC(=O)C3=CC=CS3)N=CC=C2

InChI

InChI=1S/C18H15NO3S/c20-15(16-7-3-11-23-16)8-9-17(21)22-12-14-5-1-4-13-6-2-10-19-18(13)14/h1-7,10-11H,8-9,12H2