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

Systemtic Name: 4-methyl-1-[[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]amino]cyclohexane-1-carboxylic acid Openeye Name: 4-methyl-1-[[(E)-3-(3-methyl-2-thienyl)prop-2-enoyl]amino]cyclohexanecarboxylic acid CAS Name: 4-methyl-1-[[(E)-3-(3-methyl-2-thiophenyl)-1-oxoprop-2-enyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-methyl-1-[[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 4-methyl-1-[[(E)-3-(3-methyl-2-thienyl)acryloyl]amino]cyclohexanecarboxylic acid Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)(C(=O)O)NC(=O)C=CC2=C(C=CS2)C

Isomeric SMILES

CC1CCC(CC1)(C(=O)O)NC(=O)/C=C/C2=C(C=CS2)C

InChI

InChI=1S/C16H21NO3S/c1-11-5-8-16(9-6-11,15(19)20)17-14(18)4-3-13-12(2)7-10-21-13/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H,17,18)(H,19,20)/b4-3+