methyl 3-(3-methoxy-4-phenylmethoxy-phenyl)-6,7-dihydro-5H-1,4-dithiepine-2-carboxylate

Systemtic Name: methyl 3-(3-methoxy-4-phenylmethoxy-phenyl)-6,7-dihydro-5H-1,4-dithiepine-2-carboxylate Openeye Name: methyl 3-(4-benzyloxy-3-methoxy-phenyl)-6,7-dihydro-5H-1,4-dithiepine-2-carboxylate CAS Name: 3-(3-methoxy-4-phenylmethoxyphenyl)-6,7-dihydro-5H-1,4-dithiepin-2-carboxylic acid methyl ester IUPAC Name: methyl 3-(3-methoxy-4-phenylmethoxyphenyl)-6,7-dihydro-5H-1,4-dithiepine-2-carboxylate Traditional Name: 3-(4-benzoxy-3-methoxy-phenyl)-6,7-dihydro-5H-1,4-dithiepin-2-carboxylic acid methyl ester Formula: C21H22O4S2 MolecularWeight: 402.52698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=C(SCCCS2)C(=O)OC)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)C2=C(SCCCS2)C(=O)OC)OCC3=CC=CC=C3

InChI

InChI=1S/C21H22O4S2/c1-23-18-13-16(19-20(21(22)24-2)27-12-6-11-26-19)9-10-17(18)25-14-15-7-4-3-5-8-15/h3-5,7-10,13H,6,11-12,14H2,1-2H3