[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-oxidanylidene-4-thiophen-2-yl-butanoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-oxidanylidene-4-thiophen-2-yl-butanoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 4-oxo-4-(2-thienyl)butanoate CAS Name: 4-oxo-4-thiophen-2-ylbutanoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate Traditional Name: 4-keto-4-(2-thienyl)butyric acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C16H21NO4S MolecularWeight: 323.40724

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)CCC(=O)C2=CC=CS2

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)CCC(=O)C2=CC=CS2

InChI

InChI=1S/C16H21NO4S/c18-13(14-6-5-11-22-14)7-8-16(20)21-12-15(19)17-9-3-1-2-4-10-17/h5-6,11H,1-4,7-10,12H2