[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2-thiophen-2-ylcarbonylbenzoate

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2-thiophen-2-ylcarbonylbenzoate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 2-(thiophene-2-carbonyl)benzoate CAS Name: 2-[oxo(thiophen-2-yl)methyl]benzoic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 2-(thiophene-2-carbonyl)benzoate Traditional Name: 2-(2-thenoyl)benzoic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)C2=CC=CC=C2C(=O)C3=CC=CS3

Isomeric SMILES

CC(C(=O)N1CCCCCC1)OC(=O)C2=CC=CC=C2C(=O)C3=CC=CS3

InChI

InChI=1S/C21H23NO4S/c1-15(20(24)22-12-6-2-3-7-13-22)26-21(25)17-10-5-4-9-16(17)19(23)18-11-8-14-27-18/h4-5,8-11,14-15H,2-3,6-7,12-13H2,1H3