(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2,5-dimethyl-1-(p-tolyl)pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolecarboxylic acid (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-1-(p-tolyl)pyrrole-3-carboxylic acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)OCC3=NC(=O)C4=C(N3)C=CS4)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)OCC3=NC(=O)C4=C(N3)C=CS4)C

InChI

InChI=1S/C21H19N3O3S/c1-12-4-6-15(7-5-12)24-13(2)10-16(14(24)3)21(26)27-11-18-22-17-8-9-28-19(17)20(25)23-18/h4-10H,11H2,1-3H3,(H,22,23,25)