ethyl 2-[[(E)-3-(5-bromanyl-2-methoxy-phenyl)-2-cyano-prop-2-enoyl]amino]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(E)-3-(5-bromanyl-2-methoxy-phenyl)-2-cyano-prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-3-(5-bromo-2-methoxy-phenyl)-2-cyano-prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(5-bromo-2-methoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-3-(5-bromo-2-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(5-bromo-2-methoxy-phenyl)-2-cyano-acryloyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C18H15BrN2O4S MolecularWeight: 435.2917

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1)NC(=O)C(=CC2=C(C=CC(=C2)Br)OC)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC=C1)NC(=O)/C(=C/C2=C(C=CC(=C2)Br)OC)/C#N

InChI

InChI=1S/C18H15BrN2O4S/c1-3-25-18(23)14-6-7-26-17(14)21-16(22)12(10-20)8-11-9-13(19)4-5-15(11)24-2/h4-9H,3H2,1-2H3,(H,21,22)/b12-8+