3-[1,3-dioxan-5-yl-(4-methylcyclohexyl)carbonyl-amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[1,3-dioxan-5-yl-(4-methylcyclohexyl)carbonyl-amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[1,3-dioxan-5-yl-(4-methylcyclohexanecarbonyl)amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[1,3-dioxan-5-yl-[(4-methylcyclohexyl)-oxomethyl]amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[1,3-dioxan-5-yl-(4-methylcyclohexanecarbonyl)amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[1,3-dioxan-5-yl-(4-methylcyclohexanecarbonyl)amino]-5-phenyl-2-thenoic acid Formula: C23H27NO5S MolecularWeight: 429.52918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2COCOC2)C3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2COCOC2)C3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C23H27NO5S/c1-15-7-9-17(10-8-15)22(25)24(18-12-28-14-29-13-18)19-11-20(30-21(19)23(26)27)16-5-3-2-4-6-16/h2-6,11,15,17-18H,7-10,12-14H2,1H3,(H,26,27)