[1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-(2-oxidanylideneazepan-1-yl)ethanoate

Systemtic Name: [1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-(2-oxidanylideneazepan-1-yl)ethanoate Openeye Name: [1-methyl-2-oxo-2-(2-thienylmethylamino)ethyl] 2-(2-oxoazepan-1-yl)acetate CAS Name: 2-(2-oxo-1-azepanyl)acetic acid [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-(2-oxoazepan-1-yl)acetate Traditional Name: 2-(2-ketoazepan-1-yl)acetic acid [2-keto-1-methyl-2-(2-thenylamino)ethyl] ester Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CS1)OC(=O)CN2CCCCCC2=O

Isomeric SMILES

CC(C(=O)NCC1=CC=CS1)OC(=O)CN2CCCCCC2=O

InChI

InChI=1S/C16H22N2O4S/c1-12(16(21)17-10-13-6-5-9-23-13)22-15(20)11-18-8-4-2-3-7-14(18)19/h5-6,9,12H,2-4,7-8,10-11H2,1H3,(H,17,21)