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

Systemtic Name: methyl 8-azanyl-10-chloranyl-1-methyl-5,5-bis(oxidanylidene)-6H-benzo[b][1,5]benzoxathiepine-3-carboxylate Openeye Name: methyl 8-amino-10-chloro-1-methyl-5,5-dioxo-6H-benzo[b][1,5]benzoxathiepine-3-carboxylate CAS Name: 8-amino-10-chloro-1-methyl-5,5-dioxo-6H-benzo[b][1,5]benzoxathiepin-3-carboxylic acid methyl ester IUPAC Name: methyl 8-amino-10-chloro-1-methyl-5,5-dioxo-6H-benzo[b][1,5]benzoxathiepine-3-carboxylate Traditional Name: 8-amino-10-chloro-5,5-diketo-1-methyl-6H-benzo[b][1,5]benzoxathiepin-3-carboxylic acid methyl ester Formula: C16H14ClNO5S MolecularWeight: 367.80406

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClNO5S/c1-8-3-9(16(19)22-2)5-13-14(8)23-15-10(7-24(13,20)21)4-11(18)6-12(15)17/h3-6H,7,18H2,1-2H3