S-[2-(1,3-benzodioxol-5-yl)-4-oxidanylidene-2,3-dihydrothiopyran-6-yl] 4-chloranylbenzenecarbothioate

Systemtic Name: S-[2-(1,3-benzodioxol-5-yl)-4-oxidanylidene-2,3-dihydrothiopyran-6-yl] 4-chloranylbenzenecarbothioate Openeye Name: S-[2-(1,3-benzodioxol-5-yl)-4-oxo-2,3-dihydrothiopyran-6-yl] 4-chlorobenzenecarbothioate CAS Name: 4-chlorobenzenecarbothioic acid S-[2-(1,3-benzodioxol-5-yl)-4-oxo-2,3-dihydrothiopyran-6-yl] ester IUPAC Name: S-[2-(1,3-benzodioxol-5-yl)-4-oxo-2,3-dihydrothiopyran-6-yl] 4-chlorobenzenecarbothioate Traditional Name: 4-chlorothiobenzoic acid S-[2-(1,3-benzodioxol-5-yl)-4-keto-2,3-dihydrothiopyran-6-yl] ester Formula: C19H13ClO4S2 MolecularWeight: 404.88712

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Descriptors Computed from Structure

Canonical SMILES:

C1C(SC(=CC1=O)SC(=O)C2=CC=C(C=C2)Cl)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1C(SC(=CC1=O)SC(=O)C2=CC=C(C=C2)Cl)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H13ClO4S2/c20-13-4-1-11(2-5-13)19(22)26-18-9-14(21)8-17(25-18)12-3-6-15-16(7-12)24-10-23-15/h1-7,9,17H,8,10H2