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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)O)C(=O)C=CC2=CC=C(S2)Cl

Isomeric SMILES

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

InChI

InChI=1S/C15H12ClNO3S/c1-17(12-5-3-2-4-11(12)15(19)20)14(18)9-7-10-6-8-13(16)21-10/h2-9H,1H3,(H,19,20)/b9-7+