methyl 2-butanoyl-5-methyl-4-[methyl-[4-[2-[(E)-N'-oxidanylcarbamimidoyl]phenyl]phenyl]amino]thiophene-3-carboxylate

Systemtic Name: methyl 2-butanoyl-5-methyl-4-[methyl-[4-[2-[(E)-N'-oxidanylcarbamimidoyl]phenyl]phenyl]amino]thiophene-3-carboxylate Openeye Name: methyl 2-butanoyl-4-[4-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-N-methyl-anilino]-5-methyl-thiophene-3-carboxylate CAS Name: 4-[4-[2-[(E)-amino(hydroxyimino)methyl]phenyl]-N-methylanilino]-5-methyl-2-(1-oxobutyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-butanoyl-4-[4-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-N-methylanilino]-5-methylthiophene-3-carboxylate Traditional Name: 4-[4-[2-[(E)-aminocarbohydroximoyl]phenyl]-N-methyl-anilino]-2-butyryl-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C25H27N3O4S MolecularWeight: 465.56458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(C(=C(S1)C)N(C)C2=CC=C(C=C2)C3=CC=CC=C3C(=NO)N)C(=O)OC

Isomeric SMILES

CCCC(=O)C1=C(C(=C(S1)C)N(C)C2=CC=C(C=C2)C3=CC=CC=C3/C(=N\O)/N)C(=O)OC

InChI

InChI=1S/C25H27N3O4S/c1-5-8-20(29)23-21(25(30)32-4)22(15(2)33-23)28(3)17-13-11-16(12-14-17)18-9-6-7-10-19(18)24(26)27-31/h6-7,9-14,31H,5,8H2,1-4H3,(H2,26,27)