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

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

Systemtic Name:methyl 1,1-bis(oxidanylidene)-7-[2-(propoxymethyl)phenoxy]-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylate
Openeye Name:methyl 1,1-dioxo-7-[2-(propoxymethyl)phenoxy]-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylate
CAS Name:1,1-dioxo-7-[2-(propoxymethyl)phenoxy]-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxylic acid methyl ester
IUPAC Name:methyl 1,1-dioxo-7-[2-(propoxymethyl)phenoxy]-2,3-dihydro-1$l^{6}-benzothiepine-4-carboxylate
Traditional Name:1,1-diketo-7-[2-(propoxymethyl)phenoxy]-2,3-dihydro-1$l^{6}-benzothiepin-4-carboxylic acid methyl ester
Formula: C22H24O6S
MolecularWeight: 416.48736
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Descriptors Computed from Structure

Canonical SMILES:

CCCOCC1=CC=CC=C1OC2=CC3=C(C=C2)S(=O)(=O)CCC(=C3)C(=O)OC


Isomeric SMILES

CCCOCC1=CC=CC=C1OC2=CC3=C(C=C2)S(=O)(=O)CCC(=C3)C(=O)OC


InChI

InChI=1S/C22H24O6S/c1-3-11-27-15-17-6-4-5-7-20(17)28-19-8-9-21-18(14-19)13-16(22(23)26-2)10-12-29(21,24)25/h4-9,13-14H,3,10-12,15H2,1-2H3


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