2,2-dimethyl-5-[2-[2-(4-methylphenyl)carbothioylpyrrol-1-yl]ethyl]-1,3-dioxane-4,6-dione

Systemtic Name: 2,2-dimethyl-5-[2-[2-(4-methylphenyl)carbothioylpyrrol-1-yl]ethyl]-1,3-dioxane-4,6-dione Openeye Name: 2,2-dimethyl-5-[2-[2-(4-methylbenzenecarbothioyl)pyrrol-1-yl]ethyl]-1,3-dioxane-4,6-dione CAS Name: 2,2-dimethyl-5-[2-[2-[(4-methylphenyl)-sulfanylidenemethyl]-1-pyrrolyl]ethyl]-1,3-dioxane-4,6-dione IUPAC Name: 2,2-dimethyl-5-[2-[2-(4-methylbenzenecarbothioyl)pyrrol-1-yl]ethyl]-1,3-dioxane-4,6-dione Traditional Name: 2,2-dimethyl-5-[2-[2-(4-methylthiobenzoyl)pyrrol-1-yl]ethyl]-1,3-dioxane-4,6-quinone Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=S)C2=CC=CN2CCC3C(=O)OC(OC3=O)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=S)C2=CC=CN2CCC3C(=O)OC(OC3=O)(C)C

InChI

InChI=1S/C20H21NO4S/c1-13-6-8-14(9-7-13)17(26)16-5-4-11-21(16)12-10-15-18(22)24-20(2,3)25-19(15)23/h4-9,11,15H,10,12H2,1-3H3