(4-ethoxycarbonylphenyl) 5,5-dimethyl-8-phenylsulfanyl-6H-naphthalene-2-carboxylate

Systemtic Name: (4-ethoxycarbonylphenyl) 5,5-dimethyl-8-phenylsulfanyl-6H-naphthalene-2-carboxylate Openeye Name: (4-ethoxycarbonylphenyl) 5,5-dimethyl-8-phenylsulfanyl-6H-naphthalene-2-carboxylate CAS Name: 5,5-dimethyl-8-(phenylthio)-6H-naphthalene-2-carboxylic acid (4-ethoxycarbonylphenyl) ester IUPAC Name: (4-ethoxycarbonylphenyl) 5,5-dimethyl-8-phenylsulfanyl-6H-naphthalene-2-carboxylate Traditional Name: 5,5-dimethyl-8-(phenylthio)-6H-naphthalene-2-carboxylic acid (4-carbethoxyphenyl) ester Formula: C28H26O4S MolecularWeight: 458.56864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OC(=O)C2=CC3=C(C=C2)C(CC=C3SC4=CC=CC=C4)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC(=O)C2=CC3=C(C=C2)C(CC=C3SC4=CC=CC=C4)(C)C

InChI

InChI=1S/C28H26O4S/c1-4-31-26(29)19-10-13-21(14-11-19)32-27(30)20-12-15-24-23(18-20)25(16-17-28(24,2)3)33-22-8-6-5-7-9-22/h5-16,18H,4,17H2,1-3H3