O4-ethyl O2-prop-2-enyl 3-methyl-5-[2-[4-(phenylmethyl)pyridin-1-ium-1-yl]ethanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: O4-ethyl O2-prop-2-enyl 3-methyl-5-[2-[4-(phenylmethyl)pyridin-1-ium-1-yl]ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: O2-allyl O4-ethyl 5-[[2-(4-benzylpyridin-1-ium-1-yl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[1-oxo-2-[4-(phenylmethyl)-1-pyridin-1-iumyl]ethyl]amino]thiophene-2,4-dicarboxylic acid O4-ethyl ester O2-prop-2-enyl ester IUPAC Name: 4-O-ethyl 2-O-prop-2-enyl 5-[[2-(4-benzylpyridin-1-ium-1-yl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-(4-benzylpyridin-1-ium-1-yl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-allyl ester O4-ethyl ester Formula: C26H27N2O5S+ MolecularWeight: 479.56798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC=C)NC(=O)C[N+]2=CC=C(C=C2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC=C)NC(=O)C[N+]2=CC=C(C=C2)CC3=CC=CC=C3

InChI

InChI=1S/C26H26N2O5S/c1-4-15-33-26(31)23-18(3)22(25(30)32-5-2)24(34-23)27-21(29)17-28-13-11-20(12-14-28)16-19-9-7-6-8-10-19/h4,6-14H,1,5,15-17H2,2-3H3/p+1