(E)-but-2-enedioic acid; [1-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-7-thiophen-2-ylcarbonyloxy-1,2,3,4-tetrahydroisoquinolin-6-yl] thiophene-2-carboxylate

Systemtic Name: (E)-but-2-enedioic acid; [1-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-7-thiophen-2-ylcarbonyloxy-1,2,3,4-tetrahydroisoquinolin-6-yl] thiophene-2-carboxylate Openeye Name: fumaric acid; [1-[(1-methyltetrazol-5-yl)sulfanylmethyl]-7-(thiophene-2-carbonyloxy)-1,2,3,4-tetrahydroisoquinolin-6-yl] thiophene-2-carboxylate CAS Name: (E)-2-butenedioic acid; 2-thiophenecarboxylic acid [1-[[(1-methyl-5-tetrazolyl)thio]methyl]-7-[oxo(thiophen-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinolin-6-yl] ester IUPAC Name: (E)-but-2-enedioic acid; [1-[(1-methyltetrazol-5-yl)sulfanylmethyl]-7-(thiophene-2-carbonyloxy)-1,2,3,4-tetrahydroisoquinolin-6-yl] thiophene-2-carboxylate Traditional Name: fumaric acid; thiophene-2-carboxylic acid [1-[[(1-methyltetrazol-5-yl)thio]methyl]-7-(2-thenoyloxy)-1,2,3,4-tetrahydroisoquinolin-6-yl] ester Formula: C26H23N5O8S3 MolecularWeight: 629.68452

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC2C3=CC(=C(C=C3CCN2)OC(=O)C4=CC=CS4)OC(=O)C5=CC=CS5.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1C(=NN=N1)SCC2C3=CC(=C(C=C3CCN2)OC(=O)C4=CC=CS4)OC(=O)C5=CC=CS5.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C22H19N5O4S3.C4H4O4/c1-27-22(24-25-26-27)34-12-15-14-11-17(31-21(29)19-5-3-9-33-19)16(10-13(14)6-7-23-15)30-20(28)18-4-2-8-32-18;5-3(6)1-2-4(7)8/h2-5,8-11,15,23H,6-7,12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+