(Z)-but-2-enedioic acid; 1-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperidine

Systemtic Name: (Z)-but-2-enedioic acid; 1-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperidine Openeye Name: maleic acid; 1-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperidine CAS Name: (Z)-2-butenedioic acid; 1-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperidine IUPAC Name: (Z)-but-2-enedioic acid; 1-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperidine Traditional Name: maleic acid; 1-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperidine Formula: C19H25NO4S MolecularWeight: 363.4711

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2CCCSC3=CC=CC=C23.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CCN(CC1)C2CCCSC3=CC=CC=C23.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C15H21NS.C4H4O4/c1-4-10-16(11-5-1)14-8-6-12-17-15-9-3-2-7-13(14)15;5-3(6)1-2-4(7)8/h2-3,7,9,14H,1,4-6,8,10-12H2;1-2H,(H,5,6)(H,7,8)/b;2-1-