(phenylmethyl) 3-(4-oxidanylidene-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoate

Systemtic Name: (phenylmethyl) 3-(4-oxidanylidene-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoate Openeye Name: benzyl 3-(4-oxo-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl)propanoate CAS Name: 3-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoate Traditional Name: 3-(4-keto-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl)propionic acid benzyl ester Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)CCC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)CCC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C20H20N2O3S/c23-17(25-12-13-6-2-1-3-7-13)11-10-16-21-19(24)18-14-8-4-5-9-15(14)26-20(18)22-16/h1-3,6-7H,4-5,8-12H2,(H,21,22,24)