4-(7-oxidanylidene-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl)benzoic acid

Systemtic Name: 4-(7-oxidanylidene-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl)benzoic acid Openeye Name: 4-(7-oxo-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl)benzoic acid CAS Name: 4-(7-oxo-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl)benzoic acid IUPAC Name: 4-(7-oxo-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl)benzoic acid Traditional Name: 4-(7-keto-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl)benzoic acid Formula: C13H11N3O3S MolecularWeight: 289.30974

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N=C2C(=CNN2)C(S1)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1C(=O)N=C2C(=CNN2)C(S1)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C13H11N3O3S/c17-10-6-20-11(9-5-14-16-12(9)15-10)7-1-3-8(4-2-7)13(18)19/h1-5,11H,6H2,(H,18,19)(H2,14,15,16,17)