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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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