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

Systemtic Name: (5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 3-(1H-indol-3-yl)propanoate Openeye Name: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 3-(1H-indol-3-yl)propanoate CAS Name: 3-(1H-indol-3-yl)propanoic 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 3-(1H-indol-3-yl)propanoate Traditional Name: 3-(1H-indol-3-yl)propionic acid (4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)COC(=O)CCC3=CNC4=CC=CC=C43)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)COC(=O)CCC3=CNC4=CC=CC=C43)C

InChI

InChI=1S/C20H19N3O3S/c1-11-12(2)27-20-18(11)19(25)22-16(23-20)10-26-17(24)8-7-13-9-21-15-6-4-3-5-14(13)15/h3-6,9,21H,7-8,10H2,1-2H3,(H,22,23,25)