2-phenyl-2-[4-(pyrrol-1-ylmethyl)phenyl]sulfanyl-oxane-4-carboxylic acid

Systemtic Name: 2-phenyl-2-[4-(pyrrol-1-ylmethyl)phenyl]sulfanyl-oxane-4-carboxylic acid Openeye Name: 2-phenyl-2-[4-(pyrrol-1-ylmethyl)phenyl]sulfanyl-tetrahydropyran-4-carboxylic acid CAS Name: 2-phenyl-2-[[4-(1-pyrrolylmethyl)phenyl]thio]-4-oxanecarboxylic acid IUPAC Name: 2-phenyl-2-[4-(pyrrol-1-ylmethyl)phenyl]sulfanyloxane-4-carboxylic acid Traditional Name: 2-phenyl-2-[[4-(pyrrol-1-ylmethyl)phenyl]thio]tetrahydropyran-4-carboxylic acid Formula: C23H23NO3S MolecularWeight: 393.49862

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(CC1C(=O)O)(C2=CC=CC=C2)SC3=CC=C(C=C3)CN4C=CC=C4

Isomeric SMILES

C1COC(CC1C(=O)O)(C2=CC=CC=C2)SC3=CC=C(C=C3)CN4C=CC=C4

InChI

InChI=1S/C23H23NO3S/c25-22(26)19-12-15-27-23(16-19,20-6-2-1-3-7-20)28-21-10-8-18(9-11-21)17-24-13-4-5-14-24/h1-11,13-14,19H,12,15-17H2,(H,25,26)