[2-(azepan-1-yl)-2-oxidanylidene-ethyl] thiophene-2-carboxylate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] thiophene-2-carboxylate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO3S/c15-12(14-7-3-1-2-4-8-14)10-17-13(16)11-6-5-9-18-11/h5-6,9H,1-4,7-8,10H2