7-(1,3-benzodioxol-5-yl)-2,3-dihydro-1-benzothiepine-4-carboxylic acid

Systemtic Name: 7-(1,3-benzodioxol-5-yl)-2,3-dihydro-1-benzothiepine-4-carboxylic acid Openeye Name: 7-(1,3-benzodioxol-5-yl)-2,3-dihydro-1-benzothiepine-4-carboxylic acid CAS Name: 7-(1,3-benzodioxol-5-yl)-2,3-dihydro-1-benzothiepin-4-carboxylic acid IUPAC Name: 7-(1,3-benzodioxol-5-yl)-2,3-dihydro-1-benzothiepine-4-carboxylic acid Traditional Name: 7-(1,3-benzodioxol-5-yl)-2,3-dihydro-1-benzothiepin-4-carboxylic acid Formula: C18H14O4S MolecularWeight: 326.36636

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C1C(=O)O)C=C(C=C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CSC2=C(C=C1C(=O)O)C=C(C=C2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H14O4S/c19-18(20)13-5-6-23-17-4-2-11(7-14(17)8-13)12-1-3-15-16(9-12)22-10-21-15/h1-4,7-9H,5-6,10H2,(H,19,20)