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

Systemtic Name: 4-chloranyl-3-[[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]amino]benzoic acid Openeye Name: 4-chloro-3-[[(E)-3-(5-methyl-2-thienyl)prop-2-enoyl]amino]benzoic acid CAS Name: 4-chloro-3-[[(E)-3-(5-methyl-2-thiophenyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]amino]benzoic acid Traditional Name: 4-chloro-3-[[(E)-3-(5-methyl-2-thienyl)acryloyl]amino]benzoic acid Formula: C15H12ClNO3S MolecularWeight: 321.77868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C=CC(=O)NC2=C(C=CC(=C2)C(=O)O)Cl

Isomeric SMILES

CC1=CC=C(S1)/C=C/C(=O)NC2=C(C=CC(=C2)C(=O)O)Cl

InChI

InChI=1S/C15H12ClNO3S/c1-9-2-4-11(21-9)5-7-14(18)17-13-8-10(15(19)20)3-6-12(13)16/h2-8H,1H3,(H,17,18)(H,19,20)/b7-5+