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

Systemtic Name: 1-[[(E)-3-(5-chloranylthiophen-2-yl)prop-2-enoyl]amino]cyclohexane-1-carboxylic acid Openeye Name: 1-[[(E)-3-(5-chloro-2-thienyl)prop-2-enoyl]amino]cyclohexanecarboxylic acid CAS Name: 1-[[(E)-3-(5-chloro-2-thiophenyl)-1-oxoprop-2-enyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[[(E)-3-(5-chlorothiophen-2-yl)prop-2-enoyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 1-[[(E)-3-(5-chloro-2-thienyl)acryloyl]amino]cyclohexanecarboxylic acid Formula: C14H16ClNO3S MolecularWeight: 313.79974

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)O)NC(=O)C=CC2=CC=C(S2)Cl

Isomeric SMILES

C1CCC(CC1)(C(=O)O)NC(=O)/C=C/C2=CC=C(S2)Cl

InChI

InChI=1S/C14H16ClNO3S/c15-11-6-4-10(20-11)5-7-12(17)16-14(13(18)19)8-2-1-3-9-14/h4-7H,1-3,8-9H2,(H,16,17)(H,18,19)/b7-5+