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

Systemtic Name: [6-methyl-5-(4-methylphenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl 2-acetamido-3-methyl-benzoate Openeye Name: [6-methyl-4-oxo-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl 2-acetamido-3-methyl-benzoate CAS Name: 2-acetamido-3-methylbenzoic acid [6-methyl-5-(4-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl ester IUPAC Name: [6-methyl-5-(4-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl 2-acetamido-3-methylbenzoate Traditional Name: 2-acetamido-3-methyl-benzoic acid [4-keto-6-methyl-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl ester Formula: C25H23N3O4S MolecularWeight: 461.53282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC3=C2C(=O)NC(=N3)COC(=O)C4=C(C(=CC=C4)C)NC(=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC3=C2C(=O)NC(=N3)COC(=O)C4=C(C(=CC=C4)C)NC(=O)C)C

InChI

InChI=1S/C25H23N3O4S/c1-13-8-10-17(11-9-13)20-15(3)33-24-21(20)23(30)27-19(28-24)12-32-25(31)18-7-5-6-14(2)22(18)26-16(4)29/h5-11H,12H2,1-4H3,(H,26,29)(H,27,28,30)