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

Systemtic Name: ethyl 7-ethoxy-6-methoxy-1-(3-propan-2-ylsulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 7-ethoxy-1-(3-isopropylsulfonylphenyl)-6-methoxy-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 7-ethoxy-6-methoxy-1-(3-propan-2-ylsulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 7-ethoxy-6-methoxy-1-(3-propan-2-ylsulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 7-ethoxy-1-(3-isopropylsulfonylphenyl)-6-methoxy-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C28H31N3O6S MolecularWeight: 537.62724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C(=C(C=C2C=C1OC)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=C1OC)CN3C=NC=N3)C(=O)OCC)C4=CC(=CC=C4)S(=O)(=O)C(C)C

InChI

InChI=1S/C28H31N3O6S/c1-6-36-25-14-23-20(13-24(25)35-5)11-21(15-31-17-29-16-30-31)27(28(32)37-7-2)26(23)19-9-8-10-22(12-19)38(33,34)18(3)4/h8-14,16-18H,6-7,15H2,1-5H3