methyl 7-[[2-(2-ethoxyethoxy)phenyl]methoxy]-1,1-bis(oxidanylidene)-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC1=CC=CC=C1COC2=CC3=C(C=C2)S(=O)(=O)CCC(=C3)C(=O)OC

Isomeric SMILES

CCOCCOC1=CC=CC=C1COC2=CC3=C(C=C2)S(=O)(=O)CCC(=C3)C(=O)OC

InChI

InChI=1S/C23H26O7S/c1-3-28-11-12-29-21-7-5-4-6-18(21)16-30-20-8-9-22-19(15-20)14-17(23(24)27-2)10-13-31(22,25)26/h4-9,14-15H,3,10-13,16H2,1-2H3