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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC1=CC=C(C=C1)C2=CC=CC=C2C(=NO)N)C(=O)NC3=C(C=CS3)C(=O)OC

Isomeric SMILES

CCCC(CC1=CC=C(C=C1)C2=CC=CC=C2/C(=N\O)/N)C(=O)NC3=C(C=CS3)C(=O)OC

InChI

InChI=1S/C25H27N3O4S/c1-3-6-18(23(29)27-24-21(13-14-33-24)25(30)32-2)15-16-9-11-17(12-10-16)19-7-4-5-8-20(19)22(26)28-31/h4-5,7-14,18,31H,3,6,15H2,1-2H3,(H2,26,28)(H,27,29)