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

Systemtic Name: [2-[[5-(dimethylcarbamoyl)-3-ethoxycarbonyl-4-methyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl]-phenethyl-azanium Openeye Name: [2-[[5-(dimethylcarbamoyl)-3-ethoxycarbonyl-4-methyl-2-thienyl]amino]-2-oxo-ethyl]-phenethyl-ammonium CAS Name: [2-[[5-[dimethylamino(oxo)methyl]-3-ethoxycarbonyl-4-methyl-2-thiophenyl]amino]-2-oxoethyl]-phenethylammonium IUPAC Name: [2-[[5-(dimethylcarbamoyl)-3-ethoxycarbonyl-4-methylthiophen-2-yl]amino]-2-oxoethyl]-phenethylazanium Traditional Name: [2-[[3-carbethoxy-5-(dimethylcarbamoyl)-4-methyl-2-thienyl]amino]-2-keto-ethyl]-phenethyl-ammonium Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)C[NH2+]CCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)C[NH2+]CCC2=CC=CC=C2

InChI

InChI=1S/C21H27N3O4S/c1-5-28-21(27)17-14(2)18(20(26)24(3)4)29-19(17)23-16(25)13-22-12-11-15-9-7-6-8-10-15/h6-10,22H,5,11-13H2,1-4H3,(H,23,25)/p+1