propan-2-yl 10-chloranyl-1-methyl-5,5-bis(oxidanylidene)-8-piperazin-1-yl-6H-benzo[b][1,5]benzoxathiepine-3-carboxylate

Systemtic Name: propan-2-yl 10-chloranyl-1-methyl-5,5-bis(oxidanylidene)-8-piperazin-1-yl-6H-benzo[b][1,5]benzoxathiepine-3-carboxylate Openeye Name: isopropyl 10-chloro-1-methyl-5,5-dioxo-8-piperazin-1-yl-6H-benzo[b][1,5]benzoxathiepine-3-carboxylate CAS Name: 10-chloro-1-methyl-5,5-dioxo-8-(1-piperazinyl)-6H-benzo[b][1,5]benzoxathiepin-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 10-chloro-1-methyl-5,5-dioxo-8-piperazin-1-yl-6H-benzo[b][1,5]benzoxathiepine-3-carboxylate Traditional Name: 10-chloro-5,5-diketo-1-methyl-8-piperazino-6H-benzo[b][1,5]benzoxathiepin-3-carboxylic acid isopropyl ester Formula: C22H25ClN2O5S MolecularWeight: 464.9623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)C(=O)OC(C)C)S(=O)(=O)CC3=CC(=CC(=C3O2)Cl)N4CCNCC4

Isomeric SMILES

CC1=C2C(=CC(=C1)C(=O)OC(C)C)S(=O)(=O)CC3=CC(=CC(=C3O2)Cl)N4CCNCC4

InChI

InChI=1S/C22H25ClN2O5S/c1-13(2)29-22(26)15-8-14(3)20-19(10-15)31(27,28)12-16-9-17(11-18(23)21(16)30-20)25-6-4-24-5-7-25/h8-11,13,24H,4-7,12H2,1-3H3