3,4-dimethyl-1,2-oxazol-5-amine; N-(2-ethanoyl-4,6-dimethyl-phenyl)-3-sulfonyl-thiophene-2-carboxamide

Systemtic Name: 3,4-dimethyl-1,2-oxazol-5-amine; N-(2-ethanoyl-4,6-dimethyl-phenyl)-3-sulfonyl-thiophene-2-carboxamide Openeye Name: N-(2-acetyl-4,6-dimethyl-phenyl)-3-sulfonyl-thiophene-2-carboxamide; 3,4-dimethylisoxazol-5-amine CAS Name: N-(2-acetyl-4,6-dimethylphenyl)-3-sulfonyl-2-thiophenecarboxamide; 3,4-dimethyl-5-isoxazolamine IUPAC Name: N-(2-acetyl-4,6-dimethylphenyl)-3-sulfonylthiophene-2-carboxamide; 3,4-dimethyl-1,2-oxazol-5-amine Traditional Name: N-(2-acetyl-4,6-dimethyl-phenyl)-3-sulfonyl-thiophene-2-carboxamide; (3,4-dimethylisoxazol-5-yl)amine Formula: C20H23N3O5S2 MolecularWeight: 449.54372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(=O)C)NC(=O)C2C(=S(=O)=O)C=CS2)C.CC1=C(ON=C1C)N

Isomeric SMILES

CC1=CC(=C(C(=C1)C(=O)C)NC(=O)C2C(=S(=O)=O)C=CS2)C.CC1=C(ON=C1C)N

InChI

InChI=1S/C15H15NO4S2.C5H8N2O/c1-8-6-9(2)13(11(7-8)10(3)17)16-15(18)14-12(22(19)20)4-5-21-14;1-3-4(2)7-8-5(3)6/h4-7,14H,1-3H3,(H,16,18);6H2,1-2H3