(2,6-diphenylthian-4-yl) 3-azanyl-4-phenoxy-benzoate

Systemtic Name: (2,6-diphenylthian-4-yl) 3-azanyl-4-phenoxy-benzoate Openeye Name: (2,6-diphenyltetrahydrothiopyran-4-yl) 3-amino-4-phenoxy-benzoate CAS Name: 3-amino-4-phenoxybenzoic acid (2,6-diphenyl-4-thianyl) ester IUPAC Name: (2,6-diphenylthian-4-yl) 3-amino-4-phenoxybenzoate Traditional Name: 3-amino-4-phenoxy-benzoic acid (2,6-diphenyltetrahydrothiopyran-4-yl) ester Formula: C30H27NO3S MolecularWeight: 481.60528

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(SC1C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)C4=CC(=C(C=C4)OC5=CC=CC=C5)N

Isomeric SMILES

C1C(CC(SC1C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)C4=CC(=C(C=C4)OC5=CC=CC=C5)N

InChI

InChI=1S/C30H27NO3S/c31-26-18-23(16-17-27(26)33-24-14-8-3-9-15-24)30(32)34-25-19-28(21-10-4-1-5-11-21)35-29(20-25)22-12-6-2-7-13-22/h1-18,25,28-29H,19-20,31H2