[2,3-dimethoxy-6-methyl-4-oxidanyl-5-(4-oxidanylidene-1-phenyl-4-thiomorpholin-4-yl-butyl)phenyl] benzoate

Systemtic Name: [2,3-dimethoxy-6-methyl-4-oxidanyl-5-(4-oxidanylidene-1-phenyl-4-thiomorpholin-4-yl-butyl)phenyl] benzoate Openeye Name: [4-hydroxy-2,3-dimethoxy-6-methyl-5-(4-oxo-1-phenyl-4-thiomorpholino-butyl)phenyl] benzoate CAS Name: benzoic acid [4-hydroxy-2,3-dimethoxy-6-methyl-5-(4-oxo-1-phenyl-4-thiomorpholin-4-ylbutyl)phenyl] ester IUPAC Name: [4-hydroxy-2,3-dimethoxy-6-methyl-5-(4-oxo-1-phenyl-4-thiomorpholin-4-ylbutyl)phenyl] benzoate Traditional Name: benzoic acid [4-hydroxy-5-(4-keto-1-phenyl-4-thiomorpholino-butyl)-2,3-dimethoxy-6-methyl-phenyl] ester Formula: C30H33NO6S MolecularWeight: 535.65112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1OC(=O)C2=CC=CC=C2)OC)OC)O)C(CCC(=O)N3CCSCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C(C(=C1OC(=O)C2=CC=CC=C2)OC)OC)O)C(CCC(=O)N3CCSCC3)C4=CC=CC=C4

InChI

InChI=1S/C30H33NO6S/c1-20-25(23(21-10-6-4-7-11-21)14-15-24(32)31-16-18-38-19-17-31)26(33)28(35-2)29(36-3)27(20)37-30(34)22-12-8-5-9-13-22/h4-13,23,33H,14-19H2,1-3H3