2-[[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]amino]terephthalic acid

Systemtic Name: 2-[[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]amino]terephthalic acid Openeye Name: 2-[[(E)-3-(3-methyl-2-thienyl)prop-2-enoyl]amino]terephthalic acid CAS Name: 2-[[(E)-3-(3-methyl-2-thiophenyl)-1-oxoprop-2-enyl]amino]terephthalic acid IUPAC Name: 2-[[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]amino]terephthalic acid Traditional Name: 2-[[(E)-3-(3-methyl-2-thienyl)acryloyl]amino]terephthalic acid Formula: C16H13NO5S MolecularWeight: 331.34312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C=CC(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

CC1=C(SC=C1)/C=C/C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C16H13NO5S/c1-9-6-7-23-13(9)4-5-14(18)17-12-8-10(15(19)20)2-3-11(12)16(21)22/h2-8H,1H3,(H,17,18)(H,19,20)(H,21,22)/b5-4+