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

Systemtic Name: ethyl 6-methyl-2-[2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-methyl-2-[2-[4-(2-thienylsulfonyl)piperazin-1-yl]propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[1-oxo-2-(4-thiophen-2-ylsulfonyl-1-piperazinyl)propyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-2-[2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-methyl-2-[2-[4-(2-thienylsulfonyl)piperazino]propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C23H31N3O5S3 MolecularWeight: 525.70434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C(C)N3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C(C)N3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C23H31N3O5S3/c1-4-31-23(28)20-17-8-7-15(2)14-18(17)33-22(20)24-21(27)16(3)25-9-11-26(12-10-25)34(29,30)19-6-5-13-32-19/h5-6,13,15-16H,4,7-12,14H2,1-3H3,(H,24,27)