(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 4-(1H-indol-3-yl)butanoate

Systemtic Name: (5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 4-(1H-indol-3-yl)butanoate Openeye Name: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 4-(1H-indol-3-yl)butanoate CAS Name: 4-(1H-indol-3-yl)butanoic acid (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester IUPAC Name: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 4-(1H-indol-3-yl)butanoate Traditional Name: 4-(1H-indol-3-yl)butyric acid (4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)COC(=O)CCCC3=CNC4=CC=CC=C43)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)COC(=O)CCCC3=CNC4=CC=CC=C43)C

InChI

InChI=1S/C21H21N3O3S/c1-12-13(2)28-21-19(12)20(26)23-17(24-21)11-27-18(25)9-5-6-14-10-22-16-8-4-3-7-15(14)16/h3-4,7-8,10,22H,5-6,9,11H2,1-2H3,(H,23,24,26)