5-methyl-4,4-bis(oxidanylidene)-2-phenethyl-pyrazolo[3,4-c][2,1]benzothiazepin-10-one

Systemtic Name: 5-methyl-4,4-bis(oxidanylidene)-2-phenethyl-pyrazolo[3,4-c][2,1]benzothiazepin-10-one Openeye Name: 5-methyl-4,4-dioxo-2-phenethyl-pyrazolo[3,4-c][2,1]benzothiazepin-10-one CAS Name: 5-methyl-4,4-dioxo-2-phenethyl-10-pyrazolo[3,4-c][2,1]benzothiazepinone IUPAC Name: 5-methyl-4,4-dioxo-2-phenethylpyrazolo[3,4-c][2,1]benzothiazepin-10-one Traditional Name: 4,4-diketo-5-methyl-2-phenethyl-pyrazolo[3,4-c][2,1]benzothiazepin-10-one Formula: C19H17N3O3S MolecularWeight: 367.42158

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=O)C3=CN(N=C3S1(=O)=O)CCC4=CC=CC=C4

Isomeric SMILES

CN1C2=CC=CC=C2C(=O)C3=CN(N=C3S1(=O)=O)CCC4=CC=CC=C4

InChI

InChI=1S/C19H17N3O3S/c1-21-17-10-6-5-9-15(17)18(23)16-13-22(20-19(16)26(21,24)25)12-11-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3