ethanedioic acid; ethyl 6-methyl-2-[2-(4-methylpiperazin-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethanedioic acid; ethyl 6-methyl-2-[2-(4-methylpiperazin-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-methyl-2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate; oxalic acid CAS Name: 6-methyl-2-[[2-(4-methyl-1-piperazinyl)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 6-methyl-2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate; oxalic acid Traditional Name: 6-methyl-2-[[2-(4-methylpiperazino)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester; oxalic acid Formula: C23H33N3O11S MolecularWeight: 559.58662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CN3CCN(CC3)C.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CN3CCN(CC3)C.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H29N3O3S.2C2H2O4/c1-4-25-19(24)17-14-6-5-13(2)11-15(14)26-18(17)20-16(23)12-22-9-7-21(3)8-10-22;2*3-1(4)2(5)6/h13H,4-12H2,1-3H3,(H,20,23);2*(H,3,4)(H,5,6)