[2-[(5-aminocarbonyl-3-ethoxycarbonyl-4-methyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-methyl-[(2-methylphenyl)methyl]azanium

Systemtic Name: [2-[(5-aminocarbonyl-3-ethoxycarbonyl-4-methyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-methyl-[(2-methylphenyl)methyl]azanium Openeye Name: [2-[(5-carbamoyl-3-ethoxycarbonyl-4-methyl-2-thienyl)amino]-2-oxo-ethyl]-methyl-(o-tolylmethyl)ammonium CAS Name: [2-[(5-carbamoyl-3-ethoxycarbonyl-4-methyl-2-thiophenyl)amino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]ammonium IUPAC Name: [2-[(5-carbamoyl-3-ethoxycarbonyl-4-methylthiophen-2-yl)amino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium Traditional Name: [2-[(5-carbamoyl-3-carbethoxy-4-methyl-2-thienyl)amino]-2-keto-ethyl]-methyl-(2-methylbenzyl)ammonium Formula: C20H26N3O4S+ MolecularWeight: 404.50314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)C[NH+](C)CC2=CC=CC=C2C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)C[NH+](C)CC2=CC=CC=C2C

InChI

InChI=1S/C20H25N3O4S/c1-5-27-20(26)16-13(3)17(18(21)25)28-19(16)22-15(24)11-23(4)10-14-9-7-6-8-12(14)2/h6-9H,5,10-11H2,1-4H3,(H2,21,25)(H,22,24)/p+1