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

Systemtic Name: 3-[[(E)-3-(5-bromanylthiophen-2-yl)prop-2-enoyl]amino]-4-chloranyl-benzoic acid Openeye Name: 3-[[(E)-3-(5-bromo-2-thienyl)prop-2-enoyl]amino]-4-chloro-benzoic acid CAS Name: 3-[[(E)-3-(5-bromo-2-thiophenyl)-1-oxoprop-2-enyl]amino]-4-chlorobenzoic acid IUPAC Name: 3-[[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]amino]-4-chlorobenzoic acid Traditional Name: 3-[[(E)-3-(5-bromo-2-thienyl)acryloyl]amino]-4-chloro-benzoic acid Formula: C14H9BrClNO3S MolecularWeight: 386.64816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)NC(=O)C=CC2=CC=C(S2)Br)Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)NC(=O)/C=C/C2=CC=C(S2)Br)Cl

InChI

InChI=1S/C14H9BrClNO3S/c15-12-5-2-9(21-12)3-6-13(18)17-11-7-8(14(19)20)1-4-10(11)16/h1-7H,(H,17,18)(H,19,20)/b6-3+