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

Systemtic Name: methyl 10-chloranyl-1-methyl-5,5-bis(oxidanylidene)-8-piperazin-1-yl-6H-benzo[b][1,5]benzoxathiepine-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H21ClN2O5S MolecularWeight: 436.90914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O5S/c1-12-7-13(20(24)27-2)9-17-18(12)28-19-14(11-29(17,25)26)8-15(10-16(19)21)23-5-3-22-4-6-23/h7-10,22H,3-6,11H2,1-2H3