3-[[(E)-3-(5-bromanylthiophen-2-yl)prop-2-enoyl]amino]-4-methyl-benzoic acid

Systemtic Name: 3-[[(E)-3-(5-bromanylthiophen-2-yl)prop-2-enoyl]amino]-4-methyl-benzoic acid Openeye Name: 3-[[(E)-3-(5-bromo-2-thienyl)prop-2-enoyl]amino]-4-methyl-benzoic acid CAS Name: 3-[[(E)-3-(5-bromo-2-thiophenyl)-1-oxoprop-2-enyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]amino]-4-methylbenzoic acid Traditional Name: 3-[[(E)-3-(5-bromo-2-thienyl)acryloyl]amino]-4-methyl-benzoic acid Formula: C15H12BrNO3S MolecularWeight: 366.22968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C=CC2=CC=C(S2)Br

Isomeric SMILES

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

InChI

InChI=1S/C15H12BrNO3S/c1-9-2-3-10(15(19)20)8-12(9)17-14(18)7-5-11-4-6-13(16)21-11/h2-8H,1H3,(H,17,18)(H,19,20)/b7-5+