(6-ethanoyl-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 3-pyrrol-1-ylbenzoate

Systemtic Name: (6-ethanoyl-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 3-pyrrol-1-ylbenzoate Openeye Name: (6-acetyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 3-pyrrol-1-ylbenzoate CAS Name: 3-(1-pyrrolyl)benzoic acid (6-acetyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester IUPAC Name: (6-acetyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 3-pyrrol-1-ylbenzoate Traditional Name: 3-pyrrol-1-ylbenzoic acid (6-acetyl-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)COC(=O)C3=CC(=CC=C3)N4C=CC=C4)C(=O)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)COC(=O)C3=CC(=CC=C3)N4C=CC=C4)C(=O)C

InChI

InChI=1S/C21H17N3O4S/c1-12-17-19(26)22-16(23-20(17)29-18(12)13(2)25)11-28-21(27)14-6-5-7-15(10-14)24-8-3-4-9-24/h3-10H,11H2,1-2H3,(H,22,23,26)