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

Systemtic Name: methyl 4-(7-oxidanylidene-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl)benzoate Openeye Name: methyl 4-(7-oxo-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl)benzoate CAS Name: 4-(7-oxo-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(7-oxo-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl)benzoate Traditional Name: 4-(7-keto-2,4-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl)benzoic acid methyl ester Formula: C14H13N3O3S MolecularWeight: 303.33632

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2C3=CNNC3=NC(=O)CS2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2C3=CNNC3=NC(=O)CS2

InChI

InChI=1S/C14H13N3O3S/c1-20-14(19)9-4-2-8(3-5-9)12-10-6-15-17-13(10)16-11(18)7-21-12/h2-6,12H,7H2,1H3,(H2,15,16,17,18)