S-(4-methoxyphenyl) 4-butoxybenzenecarbothioate

Systemtic Name: S-(4-methoxyphenyl) 4-butoxybenzenecarbothioate Openeye Name: S-(4-methoxyphenyl) 4-butoxybenzenecarbothioate CAS Name: 4-butoxybenzenecarbothioic acid S-(4-methoxyphenyl) ester IUPAC Name: S-(4-methoxyphenyl) 4-butoxybenzenecarbothioate Traditional Name: 4-butoxythiobenzoic acid S-(4-methoxyphenyl) ester Formula: C18H20O3S MolecularWeight: 316.4146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)SC2=CC=C(C=C2)OC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)SC2=CC=C(C=C2)OC

InChI

InChI=1S/C18H20O3S/c1-3-4-13-21-16-7-5-14(6-8-16)18(19)22-17-11-9-15(20-2)10-12-17/h5-12H,3-4,13H2,1-2H3