S-[4-cyano-3-(3,4-dimethoxyphenyl)carbonylsulfanyl-1,2-thiazol-5-yl] 3,4-dimethoxybenzenecarbothioate

Systemtic Name: S-[4-cyano-3-(3,4-dimethoxyphenyl)carbonylsulfanyl-1,2-thiazol-5-yl] 3,4-dimethoxybenzenecarbothioate Openeye Name: S-[4-cyano-3-(3,4-dimethoxybenzoyl)sulfanyl-isothiazol-5-yl] 3,4-dimethoxybenzenecarbothioate CAS Name: 3,4-dimethoxybenzenecarbothioic acid S-[4-cyano-3-[[(3,4-dimethoxyphenyl)-oxomethyl]thio]-5-isothiazolyl] ester IUPAC Name: S-[4-cyano-3-(3,4-dimethoxybenzoyl)sulfanyl-1,2-thiazol-5-yl] 3,4-dimethoxybenzenecarbothioate Traditional Name: 3,4-dimethoxythiobenzoic acid S-[4-cyano-3-(veratroylthio)isothiazol-5-yl] ester Formula: C22H18N2O6S3 MolecularWeight: 502.58312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)SC2=C(C(=NS2)SC(=O)C3=CC(=C(C=C3)OC)OC)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)SC2=C(C(=NS2)SC(=O)C3=CC(=C(C=C3)OC)OC)C#N)OC

InChI

InChI=1S/C22H18N2O6S3/c1-27-15-7-5-12(9-17(15)29-3)20(25)31-19-14(11-23)22(33-24-19)32-21(26)13-6-8-16(28-2)18(10-13)30-4/h5-10H,1-4H3