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

Systemtic Name: dimethyl 5-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(E)-3-(4-bromophenyl)-1-oxoprop-2-enyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[(E)-3-(4-bromophenyl)acryloyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C18H16BrNO5S MolecularWeight: 438.29234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C=CC2=CC=C(C=C2)Br)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)/C=C/C2=CC=C(C=C2)Br)C(=O)OC

InChI

InChI=1S/C18H16BrNO5S/c1-10-14(17(22)24-2)16(26-15(10)18(23)25-3)20-13(21)9-6-11-4-7-12(19)8-5-11/h4-9H,1-3H3,(H,20,21)/b9-6+