3-[cycloheptylcarbonyl(propan-2-yl)amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[cycloheptylcarbonyl(propan-2-yl)amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[cycloheptanecarbonyl(isopropyl)amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[cycloheptyl(oxo)methyl]-propan-2-ylamino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[cycloheptanecarbonyl(propan-2-yl)amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[cycloheptanecarbonyl(isopropyl)amino]-5-phenyl-2-thenoic acid Formula: C22H27NO3S MolecularWeight: 385.51968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=C(SC(=C1)C2=CC=CC=C2)C(=O)O)C(=O)C3CCCCCC3

Isomeric SMILES

CC(C)N(C1=C(SC(=C1)C2=CC=CC=C2)C(=O)O)C(=O)C3CCCCCC3

InChI

InChI=1S/C22H27NO3S/c1-15(2)23(21(24)17-12-6-3-4-7-13-17)18-14-19(27-20(18)22(25)26)16-10-8-5-9-11-16/h5,8-11,14-15,17H,3-4,6-7,12-13H2,1-2H3,(H,25,26)