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

Systemtic Name: ethyl 7-ethoxy-6-oxidanyl-1-(3-propan-2-ylsulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 7-ethoxy-6-hydroxy-1-(3-isopropylsulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 7-ethoxy-6-hydroxy-1-(3-propan-2-ylsulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 7-ethoxy-6-hydroxy-1-(3-propan-2-ylsulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 7-ethoxy-6-hydroxy-1-(3-isopropylsulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C27H29N3O6S MolecularWeight: 523.60066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C(=C(C=C2C=C1O)CN3C=NC=N3)C(=O)OCC)C4=CC(=CC=C4)S(=O)(=O)C(C)C

Isomeric SMILES

CCOC1=CC2=C(C(=C(C=C2C=C1O)CN3C=NC=N3)C(=O)OCC)C4=CC(=CC=C4)S(=O)(=O)C(C)C

InChI

InChI=1S/C27H29N3O6S/c1-5-35-24-13-22-19(12-23(24)31)10-20(14-30-16-28-15-29-30)26(27(32)36-6-2)25(22)18-8-7-9-21(11-18)37(33,34)17(3)4/h7-13,15-17,31H,5-6,14H2,1-4H3