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

Systemtic Name: [2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl] (6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [2-(4-acetylpiperazin-1-yl)-2-oxo-ethyl] (6S)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid [2-(4-acetyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] (6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6S)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid [2-(4-acetylpiperazino)-2-keto-ethyl] ester Formula: C18H24N2O4S MolecularWeight: 364.45916

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC=C2C(=O)OCC(=O)N3CCN(CC3)C(=O)C

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC=C2C(=O)OCC(=O)N3CCN(CC3)C(=O)C

InChI

InChI=1S/C18H24N2O4S/c1-12-3-4-14-15(11-25-16(14)9-12)18(23)24-10-17(22)20-7-5-19(6-8-20)13(2)21/h11-12H,3-10H2,1-2H3/t12-/m0/s1