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

Systemtic Name: 1,1-bis(oxidanylidene)-7-[[2-(2-propoxyethoxy)phenyl]methoxy]-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylic acid Openeye Name: 1,1-dioxo-7-[[2-(2-propoxyethoxy)phenyl]methoxy]-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylic acid CAS Name: 1,1-dioxo-7-[[2-(2-propoxyethoxy)phenyl]methoxy]-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxylic acid IUPAC Name: 1,1-dioxo-7-[[2-(2-propoxyethoxy)phenyl]methoxy]-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylic acid Traditional Name: 1,1-diketo-7-[2-(2-propoxyethoxy)benzyl]oxy-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxylic acid Formula: C23H26O7S MolecularWeight: 446.51334

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Descriptors Computed from Structure

Canonical SMILES:

CCCOCCOC1=CC=CC=C1COC2=CC3=C(C=C2)S(=O)(=O)CCC(=C3)C(=O)O

Isomeric SMILES

CCCOCCOC1=CC=CC=C1COC2=CC3=C(C=C2)S(=O)(=O)CCC(=C3)C(=O)O

InChI

InChI=1S/C23H26O7S/c1-2-10-28-11-12-29-21-6-4-3-5-18(21)16-30-20-7-8-22-19(15-20)14-17(23(24)25)9-13-31(22,26)27/h3-8,14-15H,2,9-13,16H2,1H3,(H,24,25)