1,1-bis(oxidanylidene)-7-[4-(2-propoxyethoxy)phenyl]-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylic acid

Systemtic Name: 1,1-bis(oxidanylidene)-7-[4-(2-propoxyethoxy)phenyl]-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylic acid Openeye Name: 1,1-dioxo-7-[4-(2-propoxyethoxy)phenyl]-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylic acid CAS Name: 1,1-dioxo-7-[4-(2-propoxyethoxy)phenyl]-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxylic acid IUPAC Name: 1,1-dioxo-7-[4-(2-propoxyethoxy)phenyl]-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylic acid Traditional Name: 1,1-diketo-7-[4-(2-propoxyethoxy)phenyl]-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxylic acid Formula: C22H24O6S MolecularWeight: 416.48736

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Descriptors Computed from Structure

Canonical SMILES:

CCCOCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)S(=O)(=O)CCC(=C3)C(=O)O

Isomeric SMILES

CCCOCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)S(=O)(=O)CCC(=C3)C(=O)O

InChI

InChI=1S/C22H24O6S/c1-2-10-27-11-12-28-20-6-3-16(4-7-20)17-5-8-21-19(14-17)15-18(22(23)24)9-13-29(21,25)26/h3-8,14-15H,2,9-13H2,1H3,(H,23,24)