tert-butyl-[2-[[5-[(2,4-dimethylphenyl)carbamoyl]-3-ethoxycarbonyl-4-methyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: tert-butyl-[2-[[5-[(2,4-dimethylphenyl)carbamoyl]-3-ethoxycarbonyl-4-methyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl]azanium Openeye Name: tert-butyl-[2-[[5-[(2,4-dimethylphenyl)carbamoyl]-3-ethoxycarbonyl-4-methyl-2-thienyl]amino]-2-oxo-ethyl]ammonium CAS Name: tert-butyl-[2-[[5-[(2,4-dimethylanilino)-oxomethyl]-3-ethoxycarbonyl-4-methyl-2-thiophenyl]amino]-2-oxoethyl]ammonium IUPAC Name: tert-butyl-[2-[[5-[(2,4-dimethylphenyl)carbamoyl]-3-ethoxycarbonyl-4-methylthiophen-2-yl]amino]-2-oxoethyl]azanium Traditional Name: tert-butyl-[2-[[3-carbethoxy-5-[(2,4-dimethylphenyl)carbamoyl]-4-methyl-2-thienyl]amino]-2-keto-ethyl]ammonium Formula: C23H32N3O4S+ MolecularWeight: 446.58288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=C(C=C(C=C2)C)C)NC(=O)C[NH2+]C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=C(C=C(C=C2)C)C)NC(=O)C[NH2+]C(C)(C)C

InChI

InChI=1S/C23H31N3O4S/c1-8-30-22(29)18-15(4)19(20(28)25-16-10-9-13(2)11-14(16)3)31-21(18)26-17(27)12-24-23(5,6)7/h9-11,24H,8,12H2,1-7H3,(H,25,28)(H,26,27)/p+1