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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C(=NO)N)C3=C(C=C(S3)C)C(=O)OC

Isomeric SMILES

CCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2/C(=N\O)/N)C3=C(C=C(S3)C)C(=O)OC

InChI

InChI=1S/C25H27N3O4S/c1-4-7-22(29)28(24-21(25(30)32-3)14-16(2)33-24)15-17-10-12-18(13-11-17)19-8-5-6-9-20(19)23(26)27-31/h5-6,8-14,31H,4,7,15H2,1-3H3,(H2,26,27)