(Z)-but-2-enedioic acid; N-butyl-3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-6-amine

Systemtic Name: (Z)-but-2-enedioic acid; N-butyl-3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-6-amine Openeye Name: N-butyl-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-amine; maleic acid CAS Name: (Z)-2-butenedioic acid; N-butyl-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-amine IUPAC Name: (Z)-but-2-enedioic acid; N-butyl-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-amine Traditional Name: butyl-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)amine; maleic acid Formula: C22H24ClNO4S MolecularWeight: 433.94826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1CC2=C(C=CC(=C2)Cl)SC3=CC=CC=C13.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCNC1CC2=C(C=CC(=C2)Cl)SC3=CC=CC=C13.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C18H20ClNS.C4H4O4/c1-2-3-10-20-16-12-13-11-14(19)8-9-17(13)21-18-7-5-4-6-15(16)18;5-3(6)1-2-4(7)8/h4-9,11,16,20H,2-3,10,12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-