2-methylpropan-1-amine; [oxidanyl-[5-oxidanylidene-4-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-yl]methyl] 4-methylbenzenesulfonate

Systemtic Name: 2-methylpropan-1-amine; [oxidanyl-[5-oxidanylidene-4-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-yl]methyl] 4-methylbenzenesulfonate Openeye Name: [hydroxy-[5-oxo-4-(3-thienylmethyl)-1,3,4-oxadiazol-2-yl]methyl] 4-methylbenzenesulfonate; 2-methylpropan-1-amine CAS Name: 4-methylbenzenesulfonic acid [hydroxy-[5-oxo-4-(3-thiophenylmethyl)-1,3,4-oxadiazol-2-yl]methyl] ester; 2-methyl-1-propanamine IUPAC Name: [hydroxy-[5-oxo-4-(thiophen-3-ylmethyl)-1,3,4-oxadiazol-2-yl]methyl] 4-methylbenzenesulfonate; 2-methylpropan-1-amine Traditional Name: isobutylamine; 4-methylbenzenesulfonic acid [hydroxy-[5-keto-4-(3-thenyl)-1,3,4-oxadiazol-2-yl]methyl] ester Formula: C19H25N3O6S2 MolecularWeight: 455.5483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C2=NN(C(=O)O2)CC3=CSC=C3)O.CC(C)CN

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C2=NN(C(=O)O2)CC3=CSC=C3)O.CC(C)CN

InChI

InChI=1S/C15H14N2O6S2.C4H11N/c1-10-2-4-12(5-3-10)25(20,21)23-14(18)13-16-17(15(19)22-13)8-11-6-7-24-9-11;1-4(2)3-5/h2-7,9,14,18H,8H2,1H3;4H,3,5H2,1-2H3