phenyl 2-[4-(pyrrol-1-ylmethyl)phenyl]sulfanyloxane-4-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(CC1C(=O)OC2=CC=CC=C2)SC3=CC=C(C=C3)CN4C=CC=C4

Isomeric SMILES

C1COC(CC1C(=O)OC2=CC=CC=C2)SC3=CC=C(C=C3)CN4C=CC=C4

InChI

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