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

Systemtic Name: dimethyl 5-azanyl-3-[[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]oxymethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[[(E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoyl]oxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(E)-3-(5-bromo-2-methoxyphenyl)-1-oxoprop-2-enoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]oxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[(E)-3-(5-bromo-2-methoxy-phenyl)acryloyl]oxymethyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C19H18BrNO7S MolecularWeight: 484.31772

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=CC(=O)OCC2=C(SC(=C2C(=O)OC)N)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)Br)/C=C/C(=O)OCC2=C(SC(=C2C(=O)OC)N)C(=O)OC

InChI

InChI=1S/C19H18BrNO7S/c1-25-13-6-5-11(20)8-10(13)4-7-14(22)28-9-12-15(18(23)26-2)17(21)29-16(12)19(24)27-3/h4-8H,9,21H2,1-3H3/b7-4+