2-[3-[5-[(2-cyclohexyl-5-methyl-1,3-thiazol-4-yl)methyl]thiophen-2-yl]prop-2-ynylsulfanyl]ethanoic acid

Systemtic Name: 2-[3-[5-[(2-cyclohexyl-5-methyl-1,3-thiazol-4-yl)methyl]thiophen-2-yl]prop-2-ynylsulfanyl]ethanoic acid Openeye Name: 2-[3-[5-[(2-cyclohexyl-5-methyl-thiazol-4-yl)methyl]-2-thienyl]prop-2-ynylsulfanyl]acetic acid CAS Name: 2-[3-[5-[(2-cyclohexyl-5-methyl-4-thiazolyl)methyl]-2-thiophenyl]prop-2-ynylthio]acetic acid IUPAC Name: 2-[3-[5-[(2-cyclohexyl-5-methyl-1,3-thiazol-4-yl)methyl]thiophen-2-yl]prop-2-ynylsulfanyl]acetic acid Traditional Name: 2-[3-[5-[(2-cyclohexyl-5-methyl-thiazol-4-yl)methyl]-2-thienyl]prop-2-ynylthio]acetic acid Formula: C20H23NO2S3 MolecularWeight: 405.59712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(S1)C2CCCCC2)CC3=CC=C(S3)C#CCSCC(=O)O

Isomeric SMILES

CC1=C(N=C(S1)C2CCCCC2)CC3=CC=C(S3)C#CCSCC(=O)O

InChI

InChI=1S/C20H23NO2S3/c1-14-18(21-20(25-14)15-6-3-2-4-7-15)12-17-10-9-16(26-17)8-5-11-24-13-19(22)23/h9-10,15H,2-4,6-7,11-13H2,1H3,(H,22,23)