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

Systemtic Name: ethyl 7-ethoxy-6-(2-hydroxyphenyl)-1-(3-propan-2-ylsulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 7-ethoxy-6-(2-hydroxyphenyl)-1-(3-isopropylsulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 7-ethoxy-6-(2-hydroxyphenyl)-1-(3-propan-2-ylsulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 7-ethoxy-6-(2-hydroxyphenyl)-1-(3-propan-2-ylsulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 7-ethoxy-6-(2-hydroxyphenyl)-1-(3-isopropylsulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C33H33N3O6S MolecularWeight: 599.69662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C=C(C(=C(C2=C1)C3=CC(=CC=C3)S(=O)(=O)C(C)C)C(=O)OCC)CN4C=NC=N4)C5=CC=CC=C5O

Isomeric SMILES

CCOC1=C(C=C2C=C(C(=C(C2=C1)C3=CC(=CC=C3)S(=O)(=O)C(C)C)C(=O)OCC)CN4C=NC=N4)C5=CC=CC=C5O

InChI

InChI=1S/C33H33N3O6S/c1-5-41-30-17-27-23(16-28(30)26-12-7-8-13-29(26)37)14-24(18-36-20-34-19-35-36)32(33(38)42-6-2)31(27)22-10-9-11-25(15-22)43(39,40)21(3)4/h7-17,19-21,37H,5-6,18H2,1-4H3