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

Systemtic Name: [(1S)-1-[(7S)-7-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl]ethyl] 1-benzofuran-2-carboxylate Openeye Name: [(1S)-1-[(7S)-7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl]ethyl] benzofuran-2-carboxylate CAS Name: 2-benzofurancarboxylic 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] 1-benzofuran-2-carboxylate Traditional Name: coumarilic acid [(1S)-1-[(7S)-4-keto-7-methyl-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl]ethyl] ester Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC3=C2C(=O)NC(=N3)C(C)OC(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC3=C2C(=O)NC(=N3)[C@H](C)OC(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C22H20N2O4S/c1-11-7-8-14-17(9-11)29-21-18(14)20(25)23-19(24-21)12(2)27-22(26)16-10-13-5-3-4-6-15(13)28-16/h3-6,10-12H,7-9H2,1-2H3,(H,23,24,25)/t11-,12-/m0/s1