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

Systemtic Name: [6-methyl-5-(4-methylphenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl 3-azanyl-4-chloranyl-benzoate Openeye Name: [6-methyl-4-oxo-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl 3-amino-4-chloro-benzoate CAS Name: 3-amino-4-chlorobenzoic 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 3-amino-4-chlorobenzoate Traditional Name: 3-amino-4-chloro-benzoic acid [4-keto-6-methyl-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl ester Formula: C22H18ClN3O3S MolecularWeight: 439.91462

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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=CC(=C(C=C4)Cl)N)C

Isomeric SMILES

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

InChI

InChI=1S/C22H18ClN3O3S/c1-11-3-5-13(6-4-11)18-12(2)30-21-19(18)20(27)25-17(26-21)10-29-22(28)14-7-8-15(23)16(24)9-14/h3-9H,10,24H2,1-2H3,(H,25,26,27)