ethyl 4-(4-bromophenyl)-2-[[(E)-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enoyl]amino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-bromophenyl)-2-[[(E)-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-2-[[(E)-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[(E)-3-(4-hexoxy-3-methoxyphenyl)-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-2-[[(E)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[[(E)-3-(4-hexoxy-3-methoxy-phenyl)acryloyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C29H32BrNO5S MolecularWeight: 586.53708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C=CC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)OCC)OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)/C=C/C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)OCC)OC

InChI

InChI=1S/C29H32BrNO5S/c1-4-6-7-8-17-36-24-15-9-20(18-25(24)34-3)10-16-26(32)31-28-27(29(33)35-5-2)23(19-37-28)21-11-13-22(30)14-12-21/h9-16,18-19H,4-8,17H2,1-3H3,(H,31,32)/b16-10+