dodecyl 2-[[5-[(5-methyl-4-methylsulfonyl-1-oxidanyl-naphthalen-2-yl)carbonylamino]-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate

Systemtic Name: dodecyl 2-[[5-[(5-methyl-4-methylsulfonyl-1-oxidanyl-naphthalen-2-yl)carbonylamino]-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate Openeye Name: dodecyl 2-[[5-[(1-hydroxy-5-methyl-4-methylsulfonyl-naphthalene-2-carbonyl)amino]-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate CAS Name: 2-[[5-[[(1-hydroxy-5-methyl-4-methylsulfonyl-2-naphthalenyl)-oxomethyl]amino]-1,3,4-oxadiazol-2-yl]thio]propanoic acid dodecyl ester IUPAC Name: dodecyl 2-[[5-[(1-hydroxy-5-methyl-4-methylsulfonylnaphthalene-2-carbonyl)amino]-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate Traditional Name: 2-[[5-[(1-hydroxy-4-mesyl-5-methyl-2-naphthoyl)amino]-1,3,4-oxadiazol-2-yl]thio]propionic acid lauryl ester Formula: C30H41N3O7S2 MolecularWeight: 619.79244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C(C)SC1=NN=C(O1)NC(=O)C2=CC(=C3C(=CC=CC3=C2O)C)S(=O)(=O)C

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C(C)SC1=NN=C(O1)NC(=O)C2=CC(=C3C(=CC=CC3=C2O)C)S(=O)(=O)C

InChI

InChI=1S/C30H41N3O7S2/c1-5-6-7-8-9-10-11-12-13-14-18-39-28(36)21(3)41-30-33-32-29(40-30)31-27(35)23-19-24(42(4,37)38)25-20(2)16-15-17-22(25)26(23)34/h15-17,19,21,34H,5-14,18H2,1-4H3,(H,31,32,35)