[2-[(5-aminocarbonyl-3-ethoxycarbonyl-4-methyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-[(1S)-2-methyl-1-phenyl-propyl]azanium

Systemtic Name: [2-[(5-aminocarbonyl-3-ethoxycarbonyl-4-methyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-[(1S)-2-methyl-1-phenyl-propyl]azanium Openeye Name: [2-[(5-carbamoyl-3-ethoxycarbonyl-4-methyl-2-thienyl)amino]-2-oxo-ethyl]-[(1S)-2-methyl-1-phenyl-propyl]ammonium CAS Name: [2-[(5-carbamoyl-3-ethoxycarbonyl-4-methyl-2-thiophenyl)amino]-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]ammonium IUPAC Name: [2-[(5-carbamoyl-3-ethoxycarbonyl-4-methylthiophen-2-yl)amino]-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium Traditional Name: [2-[(5-carbamoyl-3-carbethoxy-4-methyl-2-thienyl)amino]-2-keto-ethyl]-[(1S)-2-methyl-1-phenyl-propyl]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)NC(=O)C[NH2+]C(C2=CC=CC=C2)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4S/c1-5-28-21(27)16-13(4)18(19(22)26)29-20(16)24-15(25)11-23-17(12(2)3)14-9-7-6-8-10-14/h6-10,12,17,23H,5,11H2,1-4H3,(H2,22,26)(H,24,25)/p+1/t17-/m0/s1