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

Systemtic Name: 2-[[5-(4-methoxy-3-methyl-phenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-(4-methoxy-3-methyl-phenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]acetate CAS Name: 2-[[5-(4-methoxy-3-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]thio]acetate IUPAC Name: 2-[[5-(4-methoxy-3-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]acetate Traditional Name: 2-[[4-keto-5-(4-methoxy-3-methyl-phenyl)-3H-thieno[2,3-d]pyrimidin-2-yl]thio]acetate Formula: C16H13N2O4S2- MolecularWeight: 361.41542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CSC3=C2C(=O)NC(=N3)SCC(=O)[O-])OC

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CSC3=C2C(=O)NC(=N3)SCC(=O)[O-])OC

InChI

InChI=1S/C16H14N2O4S2/c1-8-5-9(3-4-11(8)22-2)10-6-23-15-13(10)14(21)17-16(18-15)24-7-12(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,17,18,21)/p-1