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

Systemtic Name: ethyl 2-[2-(4-aminocarbonylpiperidin-1-yl)propanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[2-(4-carbamoyl-1-piperidyl)propanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(4-carbamoyl-1-piperidinyl)-1-oxopropyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-carbamoylpiperidin-1-yl)propanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-(4-carbamoylpiperidino)propanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H31N3O4S MolecularWeight: 421.55354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)N

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)N

InChI

InChI=1S/C21H31N3O4S/c1-4-28-21(27)17-15-6-5-12(2)11-16(15)29-20(17)23-19(26)13(3)24-9-7-14(8-10-24)18(22)25/h12-14H,4-11H2,1-3H3,(H2,22,25)(H,23,26)