ethyl 4-[4-[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbonylamino]butanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[4-[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbonylamino]butanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[4-[(5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)amino]butanoylamino]piperidine-1-carboxylate CAS Name: 4-[[4-[[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-oxomethyl]amino]-1-oxobutyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)amino]butanoylamino]piperidine-1-carboxylate Traditional Name: 4-[4-[(5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)amino]butanoylamino]piperidine-1-carboxylic acid ethyl ester Formula: C22H33N3O4S MolecularWeight: 435.58012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CCCNC(=O)C2=CC3=C(S2)CCC(C3)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)CCCNC(=O)C2=CC3=C(S2)CCC(C3)C

InChI

InChI=1S/C22H33N3O4S/c1-3-29-22(28)25-11-8-17(9-12-25)24-20(26)5-4-10-23-21(27)19-14-16-13-15(2)6-7-18(16)30-19/h14-15,17H,3-13H2,1-2H3,(H,23,27)(H,24,26)