2-[[5-(4-chloranyl-3-methyl-phenyl)-6-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[5-(4-chloranyl-3-methyl-phenyl)-6-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-(4-chloro-3-methyl-phenyl)-6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]acetate CAS Name: 2-[[5-(4-chloro-3-methylphenyl)-6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]thio]acetate IUPAC Name: 2-[[5-(4-chloro-3-methylphenyl)-6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-(4-chloro-3-methyl-phenyl)-4-keto-6-methyl-3H-thieno[2,3-d]pyrimidin-2-yl]thio]acetate Formula: C16H12ClN2O3S2- MolecularWeight: 379.86108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=C(SC3=C2C(=O)NC(=N3)SCC(=O)[O-])C)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)C2=C(SC3=C2C(=O)NC(=N3)SCC(=O)[O-])C)Cl

InChI

InChI=1S/C16H13ClN2O3S2/c1-7-5-9(3-4-10(7)17)12-8(2)24-15-13(12)14(22)18-16(19-15)23-6-11(20)21/h3-5H,6H2,1-2H3,(H,20,21)(H,18,19,22)/p-1