2-(4-ethyl-3-formamido-8,8-dimethyl-5-phenylsulfanyl-7H-naphthalen-1-yl)benzoic acid

Systemtic Name: 2-(4-ethyl-3-formamido-8,8-dimethyl-5-phenylsulfanyl-7H-naphthalen-1-yl)benzoic acid Openeye Name: 2-(4-ethyl-3-formamido-8,8-dimethyl-5-phenylsulfanyl-7H-naphthalen-1-yl)benzoic acid CAS Name: 2-[4-ethyl-3-formamido-8,8-dimethyl-5-(phenylthio)-7H-naphthalen-1-yl]benzoic acid IUPAC Name: 2-(4-ethyl-3-formamido-8,8-dimethyl-5-phenylsulfanyl-7H-naphthalen-1-yl)benzoic acid Traditional Name: 2-[4-ethyl-3-formamido-8,8-dimethyl-5-(phenylthio)-7H-naphthalen-1-yl]benzoic acid Formula: C28H27NO3S MolecularWeight: 457.58388

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C2=C1C(=CCC2(C)C)SC3=CC=CC=C3)C4=CC=CC=C4C(=O)O)NC=O

Isomeric SMILES

CCC1=C(C=C(C2=C1C(=CCC2(C)C)SC3=CC=CC=C3)C4=CC=CC=C4C(=O)O)NC=O

InChI

InChI=1S/C28H27NO3S/c1-4-19-23(29-17-30)16-22(20-12-8-9-13-21(20)27(31)32)26-25(19)24(14-15-28(26,2)3)33-18-10-6-5-7-11-18/h5-14,16-17H,4,15H2,1-3H3,(H,29,30)(H,31,32)