dimethyl 5-azanyl-3-[4-(3-methylphenoxy)butanoyloxymethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[4-(3-methylphenoxy)butanoyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[4-(3-methylphenoxy)butanoyloxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[4-(3-methylphenoxy)-1-oxobutoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[4-(3-methylphenoxy)butanoyloxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[4-(3-methylphenoxy)butanoyloxymethyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C20H23NO7S MolecularWeight: 421.46412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCC(=O)OCC2=C(SC(=C2C(=O)OC)N)C(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)OCCCC(=O)OCC2=C(SC(=C2C(=O)OC)N)C(=O)OC

InChI

InChI=1S/C20H23NO7S/c1-12-6-4-7-13(10-12)27-9-5-8-15(22)28-11-14-16(19(23)25-2)18(21)29-17(14)20(24)26-3/h4,6-7,10H,5,8-9,11,21H2,1-3H3