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

Systemtic Name: [(1S)-1-[(7S)-7-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl]ethyl] (E)-3-phenylprop-2-enoate Openeye Name: [(1S)-1-[(7S)-7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl]ethyl] (E)-3-phenylprop-2-enoate CAS Name: (E)-3-phenyl-2-propenoic acid [(1S)-1-[(7S)-7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl]ethyl] ester IUPAC Name: [(1S)-1-[(7S)-7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl]ethyl] (E)-3-phenylprop-2-enoate Traditional Name: (E)-3-phenylacrylic acid [(1S)-1-[(7S)-4-keto-7-methyl-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl]ethyl] ester Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC3=C2C(=O)NC(=N3)C(C)OC(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC3=C2C(=O)NC(=N3)[C@H](C)OC(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C22H22N2O3S/c1-13-8-10-16-17(12-13)28-22-19(16)21(26)23-20(24-22)14(2)27-18(25)11-9-15-6-4-3-5-7-15/h3-7,9,11,13-14H,8,10,12H2,1-2H3,(H,23,24,26)/b11-9+/t13-,14-/m0/s1