[1-(naphthalen-1-ylamino)-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-4-thiophen-2-yl-butanoate

Systemtic Name: [1-(naphthalen-1-ylamino)-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-4-thiophen-2-yl-butanoate Openeye Name: [1-methyl-2-(1-naphthylamino)-2-oxo-ethyl] 4-oxo-4-(2-thienyl)butanoate CAS Name: 4-oxo-4-thiophen-2-ylbutanoic acid [1-(1-naphthalenylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-oxo-4-thiophen-2-ylbutanoate Traditional Name: 4-keto-4-(2-thienyl)butyric acid [2-keto-1-methyl-2-(1-naphthylamino)ethyl] ester Formula: C21H19NO4S MolecularWeight: 381.44486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC2=CC=CC=C21)OC(=O)CCC(=O)C3=CC=CS3

Isomeric SMILES

CC(C(=O)NC1=CC=CC2=CC=CC=C21)OC(=O)CCC(=O)C3=CC=CS3

InChI

InChI=1S/C21H19NO4S/c1-14(26-20(24)12-11-18(23)19-10-5-13-27-19)21(25)22-17-9-4-7-15-6-2-3-8-16(15)17/h2-10,13-14H,11-12H2,1H3,(H,22,25)