ethyl 2-[3-(5-bromanyl-2-ethoxy-phenyl)prop-2-enoylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[3-(5-bromanyl-2-ethoxy-phenyl)prop-2-enoylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(5-bromo-2-ethoxy-phenyl)prop-2-enoylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[3-(5-bromo-2-ethoxyphenyl)-1-oxoprop-2-enyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(5-bromo-2-ethoxyphenyl)prop-2-enoylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[3-(5-bromo-2-ethoxy-phenyl)acryloyl]amino]-5-ethyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H22BrNO4S MolecularWeight: 452.36198

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C=CC2=C(C=CC(=C2)Br)OCC)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C=CC2=C(C=CC(=C2)Br)OCC)C(=O)OCC

InChI

InChI=1S/C20H22BrNO4S/c1-4-15-12-16(20(24)26-6-3)19(27-15)22-18(23)10-7-13-11-14(21)8-9-17(13)25-5-2/h7-12H,4-6H2,1-3H3,(H,22,23)