[2-[(5-ethanoyl-3-ethoxycarbonyl-4-methyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-[(1R)-1-phenylethyl]azanium

Systemtic Name: [2-[(5-ethanoyl-3-ethoxycarbonyl-4-methyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-[(1R)-1-phenylethyl]azanium Openeye Name: [2-[(5-acetyl-3-ethoxycarbonyl-4-methyl-2-thienyl)amino]-2-oxo-ethyl]-[(1R)-1-phenylethyl]ammonium CAS Name: [2-[(5-acetyl-3-ethoxycarbonyl-4-methyl-2-thiophenyl)amino]-2-oxoethyl]-[(1R)-1-phenylethyl]ammonium IUPAC Name: [2-[(5-acetyl-3-ethoxycarbonyl-4-methylthiophen-2-yl)amino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium Traditional Name: [2-[(5-acetyl-3-carbethoxy-4-methyl-2-thienyl)amino]-2-keto-ethyl]-[(1R)-1-phenylethyl]ammonium Formula: C20H25N2O4S+ MolecularWeight: 389.4885

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O4S/c1-5-26-20(25)17-12(2)18(14(4)23)27-19(17)22-16(24)11-21-13(3)15-9-7-6-8-10-15/h6-10,13,21H,5,11H2,1-4H3,(H,22,24)/p+1/t13-/m1/s1