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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CC(=O)NC2=C(C(=C(S2)C(=O)N)C)C(=O)OCC

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)CC(=O)NC2=C(C(=C(S2)C(=O)N)C)C(=O)OCC

InChI

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