1-[[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]cycloheptane-1-carboxylic acid

Systemtic Name: 1-[[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]cycloheptane-1-carboxylic acid Openeye Name: 1-[[(E)-3-(2-methylthiazol-4-yl)prop-2-enoyl]amino]cycloheptanecarboxylic acid CAS Name: 1-[[(E)-3-(2-methyl-4-thiazolyl)-1-oxoprop-2-enyl]amino]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]cycloheptane-1-carboxylic acid Traditional Name: 1-[[(E)-3-(2-methylthiazol-4-yl)acryloyl]amino]cycloheptanecarboxylic acid Formula: C15H20N2O3S MolecularWeight: 308.3959

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C=CC(=O)NC2(CCCCCC2)C(=O)O

Isomeric SMILES

CC1=NC(=CS1)/C=C/C(=O)NC2(CCCCCC2)C(=O)O

InChI

InChI=1S/C15H20N2O3S/c1-11-16-12(10-21-11)6-7-13(18)17-15(14(19)20)8-4-2-3-5-9-15/h6-7,10H,2-5,8-9H2,1H3,(H,17,18)(H,19,20)/b7-6+