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

Systemtic Name: ethyl 2-[(4-morpholin-4-ylphenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(4-morpholinobenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[4-(4-morpholinyl)phenyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-morpholin-4-ylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(4-morpholinobenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=C(C=C3)N4CCOCC4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=C(C=C3)N4CCOCC4

InChI

InChI=1S/C22H26N2O4S/c1-2-28-22(26)19-17-5-3-4-6-18(17)29-21(19)23-20(25)15-7-9-16(10-8-15)24-11-13-27-14-12-24/h7-10H,2-6,11-14H2,1H3,(H,23,25)