1,1-bis(oxidanylidene)-3-(2-phenyl-1-propoxy-ethoxy)-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylate

Systemtic Name: 1,1-bis(oxidanylidene)-3-(2-phenyl-1-propoxy-ethoxy)-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylate Openeye Name: 1,1-dioxo-3-(2-phenyl-1-propoxy-ethoxy)-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylate CAS Name: 1,1-dioxo-3-(2-phenyl-1-propoxyethoxy)-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxylate IUPAC Name: 1,1-dioxo-3-(2-phenyl-1-propoxyethoxy)-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylate Traditional Name: 1,1-diketo-3-(2-phenyl-1-propoxy-ethoxy)-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxylate Formula: C22H23O6S- MolecularWeight: 415.47942

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(CC1=CC=CC=C1)OC2CS(=O)(=O)C3=CC=CC=C3C=C2C(=O)[O-]

Isomeric SMILES

CCCOC(CC1=CC=CC=C1)OC2CS(=O)(=O)C3=CC=CC=C3C=C2C(=O)[O-]

InChI

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