4-(2,3,4,5-tetrahydro-1-benzothiepin-8-ylcarbonylamino)benzoic acid

Systemtic Name: 4-(2,3,4,5-tetrahydro-1-benzothiepin-8-ylcarbonylamino)benzoic acid Openeye Name: 4-(2,3,4,5-tetrahydro-1-benzothiepine-8-carbonylamino)benzoic acid CAS Name: 4-[[oxo(2,3,4,5-tetrahydro-1-benzothiepin-8-yl)methyl]amino]benzoic acid IUPAC Name: 4-(2,3,4,5-tetrahydro-1-benzothiepine-8-carbonylamino)benzoic acid Traditional Name: 4-(2,3,4,5-tetrahydro-1-benzothiepin-8-carbonylamino)benzoic acid Formula: C18H17NO3S MolecularWeight: 327.39748

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Descriptors Computed from Structure

Canonical SMILES:

C1CCSC2=C(C1)C=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CCSC2=C(C1)C=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C18H17NO3S/c20-17(19-15-8-6-13(7-9-15)18(21)22)14-5-4-12-3-1-2-10-23-16(12)11-14/h4-9,11H,1-3,10H2,(H,19,20)(H,21,22)