(Z)-but-2-enedioic acid; 2-[(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)oxy]-N,N-dimethyl-ethanamine

Systemtic Name: (Z)-but-2-enedioic acid; 2-[(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)oxy]-N,N-dimethyl-ethanamine Openeye Name: 2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)oxy]-N,N-dimethyl-ethanamine; maleic acid CAS Name: (Z)-2-butenedioic acid; 2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)oxy]-N,N-dimethylethanamine IUPAC Name: (Z)-but-2-enedioic acid; 2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)oxy]-N,N-dimethylethanamine Traditional Name: 2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)oxy]ethyl-dimethyl-amine; maleic acid Formula: C22H24ClNO5S MolecularWeight: 449.94766

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC1CC2=C(C=CC(=C2)Cl)SC3=CC=CC=C13.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)CCOC1CC2=C(C=CC(=C2)Cl)SC3=CC=CC=C13.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C18H20ClNOS.C4H4O4/c1-20(2)9-10-21-16-12-13-11-14(19)7-8-17(13)22-18-6-4-3-5-15(16)18;5-3(6)1-2-4(7)8/h3-8,11,16H,9-10,12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-