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

Systemtic Name: [(1R)-1-(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] 3-indol-1-ylpropanoate Openeye Name: [(1R)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] 3-indol-1-ylpropanoate CAS Name: 3-(1-indolyl)propanoic acid [(1R)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] ester IUPAC Name: [(1R)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] 3-indol-1-ylpropanoate Traditional Name: 3-indol-1-ylpropionic acid [(1R)-1-(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C(C)OC(=O)CCN3C=CC4=CC=CC=C43)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)[C@@H](C)OC(=O)CCN3C=CC4=CC=CC=C43)C

InChI

InChI=1S/C21H21N3O3S/c1-12-14(3)28-21-18(12)20(26)22-19(23-21)13(2)27-17(25)9-11-24-10-8-15-6-4-5-7-16(15)24/h4-8,10,13H,9,11H2,1-3H3,(H,22,23,26)/t13-/m1/s1