[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 5-morpholin-4-yl-4-phenyl-thiophene-2-carboxylate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 5-morpholin-4-yl-4-phenyl-thiophene-2-carboxylate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 5-morpholino-4-phenyl-thiophene-2-carboxylate CAS Name: 5-(4-morpholinyl)-4-phenyl-2-thiophenecarboxylic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate Traditional Name: 5-morpholino-4-phenyl-thiophene-2-carboxylic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C2=CC(=C(S2)N3CCOCC3)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=CC(=C(S2)N3CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C23H28N2O4S/c26-21(24-10-6-1-2-7-11-24)17-29-23(27)20-16-19(18-8-4-3-5-9-18)22(30-20)25-12-14-28-15-13-25/h3-5,8-9,16H,1-2,6-7,10-15,17H2