2-[3-[(4-methylphenyl)methyl]-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[3-[(4-methylphenyl)methyl]-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl]sulfanylethanoic acid Openeye Name: 2-[4-oxo-3-(p-tolylmethyl)thieno[3,2-d]pyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[3-[(4-methylphenyl)methyl]-4-oxo-2-thieno[3,2-d]pyrimidinyl]thio]acetic acid IUPAC Name: 2-[3-[(4-methylphenyl)methyl]-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetic acid Traditional Name: 2-[[4-keto-3-(4-methylbenzyl)thieno[3,2-d]pyrimidin-2-yl]thio]acetic acid Formula: C16H14N2O3S2 MolecularWeight: 346.42396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=C(C=CS3)N=C2SCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=C(C=CS3)N=C2SCC(=O)O

InChI

InChI=1S/C16H14N2O3S2/c1-10-2-4-11(5-3-10)8-18-15(21)14-12(6-7-22-14)17-16(18)23-9-13(19)20/h2-7H,8-9H2,1H3,(H,19,20)