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

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 3-(1H-indol-3-yl)propanoate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 3-(1H-indol-3-yl)propanoate CAS Name: 3-(1H-indol-3-yl)propanoic 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 3-(1H-indol-3-yl)propanoate Traditional Name: 3-(1H-indol-3-yl)propionic acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C18H15N3O3S MolecularWeight: 353.395

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CCC(=O)OCC3=NC(=O)C4=C(N3)C=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CCC(=O)OCC3=NC(=O)C4=C(N3)C=CS4

InChI

InChI=1S/C18H15N3O3S/c22-16(6-5-11-9-19-13-4-2-1-3-12(11)13)24-10-15-20-14-7-8-25-17(14)18(23)21-15/h1-4,7-9,19H,5-6,10H2,(H,20,21,23)