ethyl 5-[(5-bromanylnaphthalen-1-yl)carbonylamino]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[(5-bromanylnaphthalen-1-yl)carbonylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[(5-bromonaphthalene-1-carbonyl)amino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[(5-bromo-1-naphthalenyl)-oxomethyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(5-bromonaphthalene-1-carbonyl)amino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[(5-bromo-1-naphthoyl)amino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C20H15BrN2O3S MolecularWeight: 443.3137

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=CC3=C2C=CC=C3Br)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=CC3=C2C=CC=C3Br)C#N)C

InChI

InChI=1S/C20H15BrN2O3S/c1-3-26-20(25)17-11(2)15(10-22)19(27-17)23-18(24)14-8-4-7-13-12(14)6-5-9-16(13)21/h4-9H,3H2,1-2H3,(H,23,24)