dimethyl 5-azanyl-3-[[(E)-3-(4-bromophenyl)prop-2-enoyl]oxymethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[[(E)-3-(4-bromophenyl)prop-2-enoyl]oxymethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[[(E)-3-(4-bromophenyl)prop-2-enoyl]oxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(E)-3-(4-bromophenyl)-1-oxoprop-2-enoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[[(E)-3-(4-bromophenyl)prop-2-enoyl]oxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[(E)-3-(4-bromophenyl)acryloyl]oxymethyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C18H16BrNO6S MolecularWeight: 454.29174

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1COC(=O)C=CC2=CC=C(C=C2)Br)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1COC(=O)/C=C/C2=CC=C(C=C2)Br)C(=O)OC)N

InChI

InChI=1S/C18H16BrNO6S/c1-24-17(22)14-12(15(18(23)25-2)27-16(14)20)9-26-13(21)8-5-10-3-6-11(19)7-4-10/h3-8H,9,20H2,1-2H3/b8-5+