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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(C(=O)O)NC(=O)C=CC2=CC=C(S2)Br

Isomeric SMILES

C1CCCC(CC1)(C(=O)O)NC(=O)/C=C/C2=CC=C(S2)Br

InChI

InChI=1S/C15H18BrNO3S/c16-12-7-5-11(21-12)6-8-13(18)17-15(14(19)20)9-3-1-2-4-10-15/h5-8H,1-4,9-10H2,(H,17,18)(H,19,20)/b8-6+