ethyl 7-ethoxy-6-(2-hydroxyphenyl)-1-(3-phenoxysulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate

Systemtic Name: ethyl 7-ethoxy-6-(2-hydroxyphenyl)-1-(3-phenoxysulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 7-ethoxy-6-(2-hydroxyphenyl)-1-(3-phenoxysulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 7-ethoxy-6-(2-hydroxyphenyl)-1-(3-phenoxysulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 7-ethoxy-6-(2-hydroxyphenyl)-1-(3-phenoxysulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 7-ethoxy-6-(2-hydroxyphenyl)-1-(3-phenoxysulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C36H31N3O7S MolecularWeight: 649.71224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C=C(C(=C(C2=C1)C3=CC(=CC=C3)S(=O)(=O)OC4=CC=CC=C4)C(=O)OCC)CN5C=NC=N5)C6=CC=CC=C6O

Isomeric SMILES

CCOC1=C(C=C2C=C(C(=C(C2=C1)C3=CC(=CC=C3)S(=O)(=O)OC4=CC=CC=C4)C(=O)OCC)CN5C=NC=N5)C6=CC=CC=C6O

InChI

InChI=1S/C36H31N3O7S/c1-3-44-33-20-30-25(19-31(33)29-15-8-9-16-32(29)40)17-26(21-39-23-37-22-38-39)35(36(41)45-4-2)34(30)24-11-10-14-28(18-24)47(42,43)46-27-12-6-5-7-13-27/h5-20,22-23,40H,3-4,21H2,1-2H3