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

Systemtic Name: ethyl 2-[[4-(morpholin-4-ylmethyl)piperidin-1-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[4-(morpholinomethyl)piperidine-1-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[4-(4-morpholinylmethyl)-1-piperidinyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[4-(morpholinomethyl)piperidine-1-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H33N3O4S MolecularWeight: 435.58012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)N3CCC(CC3)CN4CCOCC4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)N3CCC(CC3)CN4CCOCC4

InChI

InChI=1S/C22H33N3O4S/c1-2-29-21(26)19-17-5-3-4-6-18(17)30-20(19)23-22(27)25-9-7-16(8-10-25)15-24-11-13-28-14-12-24/h16H,2-15H2,1H3,(H,23,27)