4-[(6-methyl-4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: 4-[(6-methyl-4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate Openeye Name: 4-[(6-methyl-4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(6-methyl-4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)thio]methyl]benzoate IUPAC Name: 4-[(6-methyl-4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-keto-6-methyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)thio]methyl]benzoate Formula: C21H15N2O3S2- MolecularWeight: 407.4854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=C(NC2=O)SCC3=CC=C(C=C3)C(=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=C(S1)N=C(NC2=O)SCC3=CC=C(C=C3)C(=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C21H16N2O3S2/c1-12-16(14-5-3-2-4-6-14)17-18(24)22-21(23-19(17)28-12)27-11-13-7-9-15(10-8-13)20(25)26/h2-10H,11H2,1H3,(H,25,26)(H,22,23,24)/p-1