O4-ethyl O2-methyl 5-[2-[(3-methoxy-4-oxidanyl-phenyl)methyl-methyl-amino]ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O4-ethyl O2-methyl 5-[2-[(3-methoxy-4-oxidanyl-phenyl)methyl-methyl-amino]ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O4-ethyl O2-methyl 5-[[2-[(4-hydroxy-3-methoxy-phenyl)methyl-methyl-amino]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-[(4-hydroxy-3-methoxyphenyl)methyl-methylamino]-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O4-ethyl ester O2-methyl ester IUPAC Name: 4-O-ethyl 2-O-methyl 5-[[2-[(4-hydroxy-3-methoxyphenyl)methyl-methylamino]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[2-[methyl(vanillyl)amino]acetyl]amino]thiophene-2,4-dicarboxylic acid O4-ethyl ester O2-methyl ester Formula: C21H26N2O7S MolecularWeight: 450.50534

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC(=O)CN(C)CC2=CC(=C(C=C2)O)OC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC(=O)CN(C)CC2=CC(=C(C=C2)O)OC

InChI

InChI=1S/C21H26N2O7S/c1-6-30-20(26)17-12(2)18(21(27)29-5)31-19(17)22-16(25)11-23(3)10-13-7-8-14(24)15(9-13)28-4/h7-9,24H,6,10-11H2,1-5H3,(H,22,25)