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

Systemtic Name: ethyl 2-[2-(4-ethanoylpiperazin-1-yl)propanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[2-(4-acetylpiperazin-1-yl)propanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(4-acetyl-1-piperazinyl)-1-oxopropyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-acetylpiperazin-1-yl)propanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-(4-acetylpiperazino)propanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H31N3O4S MolecularWeight: 421.55354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C(C)N3CCN(CC3)C(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C(C)N3CCN(CC3)C(=O)C

InChI

InChI=1S/C21H31N3O4S/c1-5-28-21(27)18-16-7-6-13(2)12-17(16)29-20(18)22-19(26)14(3)23-8-10-24(11-9-23)15(4)25/h13-14H,5-12H2,1-4H3,(H,22,26)