2-[[3-(3-methoxyphenyl)-6-(2-methylphenyl)-7-oxidanylidene-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[3-(3-methoxyphenyl)-6-(2-methylphenyl)-7-oxidanylidene-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]ethanoic acid Openeye Name: 2-[3-(3-methoxyphenyl)-6-(o-tolyl)-7-oxo-2-thioxo-thiazolo[4,5-d]pyrimidin-5-yl]sulfanylacetic acid CAS Name: 2-[[3-(3-methoxyphenyl)-6-(2-methylphenyl)-7-oxo-2-sulfanylidene-5-thiazolo[4,5-d]pyrimidinyl]thio]acetic acid IUPAC Name: 2-[[3-(3-methoxyphenyl)-6-(2-methylphenyl)-7-oxo-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]acetic acid Traditional Name: 2-[[7-keto-3-(3-methoxyphenyl)-6-(o-tolyl)-2-thioxo-thiazolo[4,5-d]pyrimidin-5-yl]thio]acetic acid Formula: C21H17N3O4S3 MolecularWeight: 471.57238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(N=C2SCC(=O)O)N(C(=S)S3)C4=CC(=CC=C4)OC

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(N=C2SCC(=O)O)N(C(=S)S3)C4=CC(=CC=C4)OC

InChI

InChI=1S/C21H17N3O4S3/c1-12-6-3-4-9-15(12)24-19(27)17-18(22-20(24)30-11-16(25)26)23(21(29)31-17)13-7-5-8-14(10-13)28-2/h3-10H,11H2,1-2H3,(H,25,26)