1-[1-(1-benzothiophen-2-yl)cyclohexyl]azepane; (E)-but-2-enedioic acid

Systemtic Name: 1-[1-(1-benzothiophen-2-yl)cyclohexyl]azepane; (E)-but-2-enedioic acid Openeye Name: 1-[1-(benzothiophen-2-yl)cyclohexyl]azepane; fumaric acid CAS Name: 1-[1-(1-benzothiophen-2-yl)cyclohexyl]azepane; (E)-2-butenedioic acid IUPAC Name: 1-[1-(1-benzothiophen-2-yl)cyclohexyl]azepane; (E)-but-2-enedioic acid Traditional Name: 1-[1-(benzothiophen-2-yl)cyclohexyl]azepane; fumaric acid Formula: C24H31NO4S MolecularWeight: 429.57224

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2(CCCCC2)C3=CC4=CC=CC=C4S3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CCCN(CC1)C2(CCCCC2)C3=CC4=CC=CC=C4S3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H27NS.C4H4O4/c1-2-9-15-21(14-8-1)20(12-6-3-7-13-20)19-16-17-10-4-5-11-18(17)22-19;5-3(6)1-2-4(7)8/h4-5,10-11,16H,1-3,6-9,12-15H2;1-2H,(H,5,6)(H,7,8)/b;2-1+