1-[[(E)-3-(5-bromanylthiophen-2-yl)prop-2-enoyl]amino]-4-methyl-cyclohexane-1-carboxylic acid

Systemtic Name: 1-[[(E)-3-(5-bromanylthiophen-2-yl)prop-2-enoyl]amino]-4-methyl-cyclohexane-1-carboxylic acid Openeye Name: 1-[[(E)-3-(5-bromo-2-thienyl)prop-2-enoyl]amino]-4-methyl-cyclohexanecarboxylic acid CAS Name: 1-[[(E)-3-(5-bromo-2-thiophenyl)-1-oxoprop-2-enyl]amino]-4-methyl-1-cyclohexanecarboxylic acid IUPAC Name: 1-[[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]amino]-4-methylcyclohexane-1-carboxylic acid Traditional Name: 1-[[(E)-3-(5-bromo-2-thienyl)acryloyl]amino]-4-methyl-cyclohexanecarboxylic acid Formula: C15H18BrNO3S MolecularWeight: 372.27732

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)(C(=O)O)NC(=O)C=CC2=CC=C(S2)Br

Isomeric SMILES

CC1CCC(CC1)(C(=O)O)NC(=O)/C=C/C2=CC=C(S2)Br

InChI

InChI=1S/C15H18BrNO3S/c1-10-6-8-15(9-7-10,14(19)20)17-13(18)5-3-11-2-4-12(16)21-11/h2-5,10H,6-9H2,1H3,(H,17,18)(H,19,20)/b5-3+