ethyl (6R)-2-[2-(4-aminocarbonylpiperidin-1-yl)ethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl (6R)-2-[2-(4-aminocarbonylpiperidin-1-yl)ethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl (6R)-2-[[2-(4-carbamoyl-1-piperidyl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6R)-2-[[2-(4-carbamoyl-1-piperidinyl)-1-oxoethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl (6R)-2-[[2-(4-carbamoylpiperidin-1-yl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6R)-2-[[2-(4-carbamoylpiperidino)acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C20H29N3O4S MolecularWeight: 407.52696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CN3CCC(CC3)C(=O)N

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CC[C@H](C2)C)NC(=O)CN3CCC(CC3)C(=O)N

InChI

InChI=1S/C20H29N3O4S/c1-3-27-20(26)17-14-5-4-12(2)10-15(14)28-19(17)22-16(24)11-23-8-6-13(7-9-23)18(21)25/h12-13H,3-11H2,1-2H3,(H2,21,25)(H,22,24)/t12-/m1/s1