(4-oxidanylidene-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl (E)-3-(3-fluorophenyl)prop-2-enoate

Systemtic Name: (4-oxidanylidene-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl (E)-3-(3-fluorophenyl)prop-2-enoate Openeye Name: (4-oxo-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl)methyl (E)-3-(3-fluorophenyl)prop-2-enoate CAS Name: (E)-3-(3-fluorophenyl)-2-propenoic acid (4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl (E)-3-(3-fluorophenyl)prop-2-enoate Traditional Name: (E)-3-(3-fluorophenyl)acrylic acid (4-keto-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C20H17FN2O3S MolecularWeight: 384.423983

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)COC(=O)C=CC4=CC(=CC=C4)F

Isomeric SMILES

C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)COC(=O)/C=C/C4=CC(=CC=C4)F

InChI

InChI=1S/C20H17FN2O3S/c21-13-5-3-4-12(10-13)8-9-17(24)26-11-16-22-19(25)18-14-6-1-2-7-15(14)27-20(18)23-16/h3-5,8-10H,1-2,6-7,11H2,(H,22,23,25)/b9-8+