dimethyl 5-azanyl-3-[[4-(4-ethoxyphenyl)-4-oxidanylidene-butanoyl]oxymethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[[4-(4-ethoxyphenyl)-4-oxidanylidene-butanoyl]oxymethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[[4-(4-ethoxyphenyl)-4-oxo-butanoyl]oxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[4-(4-ethoxyphenyl)-1,4-dioxobutoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]oxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[(4-keto-4-p-phenetyl-butanoyl)oxymethyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C21H23NO8S MolecularWeight: 449.47422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)CCC(=O)OCC2=C(SC(=C2C(=O)OC)N)C(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)CCC(=O)OCC2=C(SC(=C2C(=O)OC)N)C(=O)OC

InChI

InChI=1S/C21H23NO8S/c1-4-29-13-7-5-12(6-8-13)15(23)9-10-16(24)30-11-14-17(20(25)27-2)19(22)31-18(14)21(26)28-3/h5-8H,4,9-11,22H2,1-3H3