N-[[(1S,3R)-6-cyclohexylidene-1,5-bis(oxidanyl)-3-phenyl-4,5-dihydro-3H-isothiochromen-1-yl]methyl]methanamide

Systemtic Name: N-[[(1S,3R)-6-cyclohexylidene-1,5-bis(oxidanyl)-3-phenyl-4,5-dihydro-3H-isothiochromen-1-yl]methyl]methanamide Openeye Name: N-[[(1S,3R)-6-cyclohexylidene-1,5-dihydroxy-3-phenyl-4,5-dihydro-3H-isothiochromen-1-yl]methyl]formamide CAS Name: N-[[(1S,3R)-6-cyclohexylidene-1,5-dihydroxy-3-phenyl-4,5-dihydro-3H-2-benzothiopyran-1-yl]methyl]formamide IUPAC Name: N-[[(1S,3R)-6-cyclohexylidene-1,5-dihydroxy-3-phenyl-4,5-dihydro-3H-isothiochromen-1-yl]methyl]formamide Traditional Name: N-[[(1S,3R)-6-cyclohexylidene-1,5-dihydroxy-3-phenyl-4,5-dihydro-3H-isothiochromen-1-yl]methyl]formamide Formula: C23H27NO3S MolecularWeight: 397.53038

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=C2C=CC3=C(C2O)CC(SC3(CNC=O)O)C4=CC=CC=C4)CC1

Isomeric SMILES

C1CCC(=C2C=CC3=C(C2O)C[C@@H](S[C@@]3(CNC=O)O)C4=CC=CC=C4)CC1

InChI

InChI=1S/C23H27NO3S/c25-15-24-14-23(27)20-12-11-18(16-7-3-1-4-8-16)22(26)19(20)13-21(28-23)17-9-5-2-6-10-17/h2,5-6,9-12,15,21-22,26-27H,1,3-4,7-8,13-14H2,(H,24,25)/t21-,22?,23-/m1/s1