dimethyl 5-azanyl-3-[(2-bromanyl-4-methoxycarbonyl-phenoxy)methyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[(2-bromanyl-4-methoxycarbonyl-phenoxy)methyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[(2-bromo-4-methoxycarbonyl-phenoxy)methyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[(2-bromo-4-methoxycarbonylphenoxy)methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[(2-bromo-4-methoxycarbonylphenoxy)methyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[(2-bromo-4-carbomethoxy-phenoxy)methyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C17H16BrNO7S MolecularWeight: 458.28044

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)OCC2=C(SC(=C2C(=O)OC)N)C(=O)OC)Br

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)OCC2=C(SC(=C2C(=O)OC)N)C(=O)OC)Br

InChI

InChI=1S/C17H16BrNO7S/c1-23-15(20)8-4-5-11(10(18)6-8)26-7-9-12(16(21)24-2)14(19)27-13(9)17(22)25-3/h4-6H,7,19H2,1-3H3