5-methyl-4-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]-2-thiophen-2-yl-1,3-oxazole

Systemtic Name: 5-methyl-4-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]-2-thiophen-2-yl-1,3-oxazole Openeye Name: 5-methyl-4-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]-2-(2-thienyl)oxazole CAS Name: 5-methyl-4-[[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]methyl]-2-thiophen-2-yloxazole IUPAC Name: 5-methyl-4-[(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)methyl]-2-thiophen-2-yl-1,3-oxazole Traditional Name: 5-methyl-4-[(2-nitro-4-pyrrolidinosulfonyl-phenoxy)methyl]-2-(2-thienyl)oxazole Formula: C19H19N3O6S2 MolecularWeight: 449.50066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CS2)COC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CS2)COC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O6S2/c1-13-15(20-19(28-13)18-5-4-10-29-18)12-27-17-7-6-14(11-16(17)22(23)24)30(25,26)21-8-2-3-9-21/h4-7,10-11H,2-3,8-9,12H2,1H3