3-[(6-methyl-2-methylsulfanyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoate

Systemtic Name: 3-[(6-methyl-2-methylsulfanyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoate Openeye Name: 3-[(6-methyl-2-methylsulfanyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoate CAS Name: 3-[[6-methyl-2-(methylthio)-4-oxo-3-thieno[2,3-d]pyrimidinyl]methyl]benzoate IUPAC Name: 3-[(6-methyl-2-methylsulfanyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]benzoate Traditional Name: 3-[[4-keto-6-methyl-2-(methylthio)thieno[2,3-d]pyrimidin-3-yl]methyl]benzoate Formula: C16H13N2O3S2- MolecularWeight: 345.41602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(S1)N=C(N(C2=O)CC3=CC=CC(=C3)C(=O)[O-])SC

Isomeric SMILES

CC1=CC2=C(S1)N=C(N(C2=O)CC3=CC=CC(=C3)C(=O)[O-])SC

InChI

InChI=1S/C16H14N2O3S2/c1-9-6-12-13(23-9)17-16(22-2)18(14(12)19)8-10-4-3-5-11(7-10)15(20)21/h3-7H,8H2,1-2H3,(H,20,21)/p-1