ethanedioic acid; 4-(5H-thieno[2,3-c][2]benzothiepin-10-ylidene)piperidine

Systemtic Name: ethanedioic acid; 4-(5H-thieno[2,3-c][2]benzothiepin-10-ylidene)piperidine Openeye Name: oxalic acid; 4-(5H-thieno[2,3-c][2]benzothiepin-10-ylidene)piperidine CAS Name: oxalic acid; 4-(5H-thieno[2,3-c][2]benzothiepin-10-ylidene)piperidine IUPAC Name: oxalic acid; 4-(5H-thieno[2,3-c][2]benzothiepin-10-ylidene)piperidine Traditional Name: oxalic acid; 4-(5H-thieno[2,3-c][2]benzothiepin-10-ylidene)piperidine Formula: C19H19NO4S2 MolecularWeight: 389.48846

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1=C2C3=C(SCC4=CC=CC=C42)SC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CNCCC1=C2C3=C(SCC4=CC=CC=C42)SC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H17NS2.C2H2O4/c1-2-4-14-13(3-1)11-20-17-15(7-10-19-17)16(14)12-5-8-18-9-6-12;3-1(4)2(5)6/h1-4,7,10,18H,5-6,8-9,11H2;(H,3,4)(H,5,6)