5-[[(E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoyl]amino]thiophene-2-carboxylic acid

Systemtic Name: 5-[[(E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoyl]amino]thiophene-2-carboxylic acid Openeye Name: 5-[[(E)-3-(2-bromo-4-methyl-phenyl)prop-2-enoyl]amino]thiophene-2-carboxylic acid CAS Name: 5-[[(E)-3-(2-bromo-4-methylphenyl)-1-oxoprop-2-enyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 5-[[(E)-3-(2-bromo-4-methylphenyl)prop-2-enoyl]amino]thiophene-2-carboxylic acid Traditional Name: 5-[[(E)-3-(2-bromo-4-methyl-phenyl)acryloyl]amino]-2-thenoic acid Formula: C15H12BrNO3S MolecularWeight: 366.22968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C=CC(=O)NC2=CC=C(S2)C(=O)O)Br

Isomeric SMILES

CC1=CC(=C(C=C1)/C=C/C(=O)NC2=CC=C(S2)C(=O)O)Br

InChI

InChI=1S/C15H12BrNO3S/c1-9-2-3-10(11(16)8-9)4-6-13(18)17-14-7-5-12(21-14)15(19)20/h2-8H,1H3,(H,17,18)(H,19,20)/b6-4+