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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)C[NH+](C)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)C[NH+](C)CC2=CC=CC=C2

InChI

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