(Z)-but-2-enedioic acid; 6-(2-dimethylaminoethyl)-6H-benzo[b][1]benzothiepin-5-one

Systemtic Name: (Z)-but-2-enedioic acid; 6-(2-dimethylaminoethyl)-6H-benzo[b][1]benzothiepin-5-one Openeye Name: 6-(2-dimethylaminoethyl)-6H-benzo[b][1]benzothiepin-5-one; maleic acid CAS Name: (Z)-2-butenedioic acid; 6-(2-dimethylaminoethyl)-6H-benzo[b][1]benzothiepin-5-one IUPAC Name: (Z)-but-2-enedioic acid; 6-(2-dimethylaminoethyl)-6H-benzo[b][1]benzothiepin-5-one Traditional Name: 6-(2-dimethylaminoethyl)-6H-benzo[b][1]benzothiepin-5-one; maleic acid Formula: C22H23NO5S MolecularWeight: 413.48672

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1C2=CC=CC=C2SC3=CC=CC=C3C1=O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)CCC1C2=CC=CC=C2SC3=CC=CC=C3C1=O.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C18H19NOS.C4H4O4/c1-19(2)12-11-14-13-7-3-5-9-16(13)21-17-10-6-4-8-15(17)18(14)20;5-3(6)1-2-4(7)8/h3-10,14H,11-12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-