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

Systemtic Name: 8-azanyl-10-chloranyl-1-methyl-5,5-bis(oxidanylidene)-6H-benzo[b][1,5]benzoxathiepine-3-carboxylic acid Openeye Name: 8-amino-10-chloro-1-methyl-5,5-dioxo-6H-benzo[b][1,5]benzoxathiepine-3-carboxylic acid CAS Name: 8-amino-10-chloro-1-methyl-5,5-dioxo-6H-benzo[b][1,5]benzoxathiepin-3-carboxylic acid IUPAC Name: 8-amino-10-chloro-1-methyl-5,5-dioxo-6H-benzo[b][1,5]benzoxathiepine-3-carboxylic acid Traditional Name: 8-amino-10-chloro-5,5-diketo-1-methyl-6H-benzo[b][1,5]benzoxathiepin-3-carboxylic acid Formula: C15H12ClNO5S MolecularWeight: 353.77748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12ClNO5S/c1-7-2-8(15(18)19)4-12-13(7)22-14-9(6-23(12,20)21)3-10(17)5-11(14)16/h2-5H,6,17H2,1H3,(H,18,19)