methyl 4-(4-phenoxyphenyl)sulfanylthiane-4-carboxylate

Systemtic Name: methyl 4-(4-phenoxyphenyl)sulfanylthiane-4-carboxylate Openeye Name: methyl 4-(4-phenoxyphenyl)sulfanyltetrahydrothiopyran-4-carboxylate CAS Name: 4-[(4-phenoxyphenyl)thio]-4-thianecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-phenoxyphenyl)sulfanylthiane-4-carboxylate Traditional Name: 4-[(4-phenoxyphenyl)thio]tetrahydrothiopyran-4-carboxylic acid methyl ester Formula: C19H20O3S2 MolecularWeight: 360.4903

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCSCC1)SC2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1(CCSCC1)SC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C19H20O3S2/c1-21-18(20)19(11-13-23-14-12-19)24-17-9-7-16(8-10-17)22-15-5-3-2-4-6-15/h2-10H,11-14H2,1H3