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

Systemtic Name: ethyl 2-[2-(4-cyclopropylcarbonylpiperazin-1-yl)propanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]propanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[4-[cyclopropyl(oxo)methyl]-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-(cyclopropanecarbonyl)piperazin-1-yl]propanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-[4-(cyclopropanecarbonyl)piperazino]propanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C23H33N3O4S MolecularWeight: 447.59082

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C(C)N3CCN(CC3)C(=O)C4CC4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C(C)N3CCN(CC3)C(=O)C4CC4

InChI

InChI=1S/C23H33N3O4S/c1-4-30-23(29)19-17-8-5-14(2)13-18(17)31-21(19)24-20(27)15(3)25-9-11-26(12-10-25)22(28)16-6-7-16/h14-16H,4-13H2,1-3H3,(H,24,27)