ethyl 7-(2-hydroxyphenyl)-6-oxidanyl-1-(3-propan-2-ylsulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate

Systemtic Name: ethyl 7-(2-hydroxyphenyl)-6-oxidanyl-1-(3-propan-2-ylsulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 6-hydroxy-7-(2-hydroxyphenyl)-1-(3-isopropylsulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 6-hydroxy-7-(2-hydroxyphenyl)-1-(3-propan-2-ylsulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 6-hydroxy-7-(2-hydroxyphenyl)-1-(3-propan-2-ylsulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 6-hydroxy-7-(2-hydroxyphenyl)-1-(3-isopropylsulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C31H29N3O6S MolecularWeight: 571.64346

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC(=C(C=C2C=C1CN3C=NC=N3)O)C4=CC=CC=C4O)C5=CC(=CC=C5)S(=O)(=O)C(C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC(=C(C=C2C=C1CN3C=NC=N3)O)C4=CC=CC=C4O)C5=CC(=CC=C5)S(=O)(=O)C(C)C

InChI

InChI=1S/C31H29N3O6S/c1-4-40-31(37)30-22(16-34-18-32-17-33-34)12-21-14-28(36)26(24-10-5-6-11-27(24)35)15-25(21)29(30)20-8-7-9-23(13-20)41(38,39)19(2)3/h5-15,17-19,35-36H,4,16H2,1-3H3