10-(1-methylpiperidin-4-ylidene)-5H-thieno[2,3-c][2]benzothiepine-2-carboxylic acid

Systemtic Name: 10-(1-methylpiperidin-4-ylidene)-5H-thieno[2,3-c][2]benzothiepine-2-carboxylic acid Openeye Name: 10-(1-methyl-4-piperidylidene)-5H-thieno[2,3-c][2]benzothiepine-2-carboxylic acid CAS Name: 10-(1-methyl-4-piperidinylidene)-5H-thieno[2,3-c][2]benzothiepin-2-carboxylic acid IUPAC Name: 10-(1-methylpiperidin-4-ylidene)-5H-thieno[2,3-c][2]benzothiepine-2-carboxylic acid Traditional Name: 10-(1-methyl-4-piperidylidene)-5H-thieno[2,3-c][2]benzothiepin-2-carboxylic acid Formula: C19H19NO2S2 MolecularWeight: 357.48966

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(=C2C3=CC=CC=C3CSC4=C2C=C(S4)C(=O)O)CC1

Isomeric SMILES

CN1CCC(=C2C3=CC=CC=C3CSC4=C2C=C(S4)C(=O)O)CC1

InChI

InChI=1S/C19H19NO2S2/c1-20-8-6-12(7-9-20)17-14-5-3-2-4-13(14)11-23-19-15(17)10-16(24-19)18(21)22/h2-5,10H,6-9,11H2,1H3,(H,21,22)