2-[[(E)-3-(3-methyl-1-benzothiophen-2-yl)but-2-enoyl]amino]benzoic acid

Systemtic Name: 2-[[(E)-3-(3-methyl-1-benzothiophen-2-yl)but-2-enoyl]amino]benzoic acid Openeye Name: 2-[[(E)-3-(3-methylbenzothiophen-2-yl)but-2-enoyl]amino]benzoic acid CAS Name: 2-[[(E)-3-(3-methyl-1-benzothiophen-2-yl)-1-oxobut-2-enyl]amino]benzoic acid IUPAC Name: 2-[[(E)-3-(3-methyl-1-benzothiophen-2-yl)but-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(E)-3-(3-methylbenzothiophen-2-yl)but-2-enoyl]amino]benzoic acid Formula: C20H17NO3S MolecularWeight: 351.41888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=CC(=O)NC3=CC=CC=C3C(=O)O)C

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)/C(=C/C(=O)NC3=CC=CC=C3C(=O)O)/C

InChI

InChI=1S/C20H17NO3S/c1-12(19-13(2)14-7-4-6-10-17(14)25-19)11-18(22)21-16-9-5-3-8-15(16)20(23)24/h3-11H,1-2H3,(H,21,22)(H,23,24)/b12-11+