dimethyl 5-[[4-(4-tert-butylphenyl)sulfanyl-1-oxidanyl-naphthalen-2-yl]carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[4-(4-tert-butylphenyl)sulfanyl-1-oxidanyl-naphthalen-2-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[4-(4-tert-butylphenyl)sulfanyl-1-hydroxy-naphthalene-2-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[4-[(4-tert-butylphenyl)thio]-1-hydroxy-2-naphthalenyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[4-(4-tert-butylphenyl)sulfanyl-1-hydroxynaphthalene-2-carbonyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[4-[(4-tert-butylphenyl)thio]-1-hydroxy-2-naphthoyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C31H29NO6S MolecularWeight: 543.63006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SC2=CC(=C(C3=CC=CC=C32)O)C(=O)NC4=CC(=CC(=C4)C(=O)OC)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SC2=CC(=C(C3=CC=CC=C32)O)C(=O)NC4=CC(=CC(=C4)C(=O)OC)C(=O)OC

InChI

InChI=1S/C31H29NO6S/c1-31(2,3)20-10-12-22(13-11-20)39-26-17-25(27(33)24-9-7-6-8-23(24)26)28(34)32-21-15-18(29(35)37-4)14-19(16-21)30(36)38-5/h6-17,33H,1-5H3,(H,32,34)