[2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: [2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [2-(4-morpholinoanilino)-2-oxo-ethyl] 4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid [2-[4-(4-morpholinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid [2-keto-2-(4-morpholinoanilino)ethyl] ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=CS2)C(=O)OCC(=O)NC3=CC=C(C=C3)N4CCOCC4

Isomeric SMILES

C1CCC2=C(C1)C(=CS2)C(=O)OCC(=O)NC3=CC=C(C=C3)N4CCOCC4

InChI

InChI=1S/C21H24N2O4S/c24-20(13-27-21(25)18-14-28-19-4-2-1-3-17(18)19)22-15-5-7-16(8-6-15)23-9-11-26-12-10-23/h5-8,14H,1-4,9-13H2,(H,22,24)