2-[[2,5-dimethyl-4,4-bis(oxidanylidene)-10H-pyrazolo[3,4-c][2,1]benzothiazepin-10-yl]oxy]-N,N-dimethyl-ethanamine

Systemtic Name: 2-[[2,5-dimethyl-4,4-bis(oxidanylidene)-10H-pyrazolo[3,4-c][2,1]benzothiazepin-10-yl]oxy]-N,N-dimethyl-ethanamine Openeye Name: 2-[(2,5-dimethyl-4,4-dioxo-10H-pyrazolo[3,4-c][2,1]benzothiazepin-10-yl)oxy]-N,N-dimethyl-ethanamine CAS Name: 2-[(2,5-dimethyl-4,4-dioxo-10H-pyrazolo[3,4-c][2,1]benzothiazepin-10-yl)oxy]-N,N-dimethylethanamine IUPAC Name: 2-[(2,5-dimethyl-4,4-dioxo-10H-pyrazolo[3,4-c][2,1]benzothiazepin-10-yl)oxy]-N,N-dimethylethanamine Traditional Name: 2-[(4,4-diketo-2,5-dimethyl-10H-pyrazolo[3,4-c][2,1]benzothiazepin-10-yl)oxy]ethyl-dimethyl-amine Formula: C16H22N4O3S MolecularWeight: 350.43588

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C2C(C3=CC=CC=C3N(S(=O)(=O)C2=N1)C)OCCN(C)C

Isomeric SMILES

CN1C=C2C(C3=CC=CC=C3N(S(=O)(=O)C2=N1)C)OCCN(C)C

InChI

InChI=1S/C16H22N4O3S/c1-18(2)9-10-23-15-12-7-5-6-8-14(12)20(4)24(21,22)16-13(15)11-19(3)17-16/h5-8,11,15H,9-10H2,1-4H3