ethyl 4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]thieno[3,2-b]pyrrole-5-carboxylate

Systemtic Name: ethyl 4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]thieno[3,2-b]pyrrole-5-carboxylate Openeye Name: ethyl 4-[2-(azepan-1-yl)-2-oxo-ethyl]thieno[3,2-b]pyrrole-5-carboxylate CAS Name: 4-[2-(1-azepanyl)-2-oxoethyl]-5-thieno[3,2-b]pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(azepan-1-yl)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate Traditional Name: 4-[2-(azepan-1-yl)-2-keto-ethyl]thieno[3,2-b]pyrrole-5-carboxylic acid ethyl ester Formula: C17H22N2O3S MolecularWeight: 334.43318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(N1CC(=O)N3CCCCCC3)C=CS2

Isomeric SMILES

CCOC(=O)C1=CC2=C(N1CC(=O)N3CCCCCC3)C=CS2

InChI

InChI=1S/C17H22N2O3S/c1-2-22-17(21)14-11-15-13(7-10-23-15)19(14)12-16(20)18-8-5-3-4-6-9-18/h7,10-11H,2-6,8-9,12H2,1H3