methyl 2-[(5-bromanylthiophen-2-yl)carbonylamino]-5-methyl-benzoate

Systemtic Name: methyl 2-[(5-bromanylthiophen-2-yl)carbonylamino]-5-methyl-benzoate Openeye Name: methyl 2-[(5-bromothiophene-2-carbonyl)amino]-5-methyl-benzoate CAS Name: 2-[[(5-bromo-2-thiophenyl)-oxomethyl]amino]-5-methylbenzoic acid methyl ester IUPAC Name: methyl 2-[(5-bromothiophene-2-carbonyl)amino]-5-methylbenzoate Traditional Name: 2-[(5-bromothiophene-2-carbonyl)amino]-5-methyl-benzoic acid methyl ester Formula: C14H12BrNO3S MolecularWeight: 354.21898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=CC=C(S2)Br)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=CC=C(S2)Br)C(=O)OC

InChI

InChI=1S/C14H12BrNO3S/c1-8-3-4-10(9(7-8)14(18)19-2)16-13(17)11-5-6-12(15)20-11/h3-7H,1-2H3,(H,16,17)