4-(4-bromophenyl)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate

Systemtic Name: 4-(4-bromophenyl)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: 4-(4-bromophenyl)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylate IUPAC Name: 4-(4-bromophenyl)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[[(E)-3-(4-methoxyphenyl)acryloyl]amino]-3-thenoate Formula: C21H15BrNO4S- MolecularWeight: 457.3171

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)[O-]

InChI

InChI=1S/C21H16BrNO4S/c1-27-16-9-2-13(3-10-16)4-11-18(24)23-20-19(21(25)26)17(12-28-20)14-5-7-15(22)8-6-14/h2-12H,1H3,(H,23,24)(H,25,26)/p-1/b11-4+