3-[[2-(4-methylcyclohexyl)-2-oxidanylidene-ethanoyl]-propan-2-yl-amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[[2-(4-methylcyclohexyl)-2-oxidanylidene-ethanoyl]-propan-2-yl-amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[isopropyl-[2-(4-methylcyclohexyl)-2-oxo-acetyl]amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[2-(4-methylcyclohexyl)-1,2-dioxoethyl]-propan-2-ylamino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[[2-(4-methylcyclohexyl)-2-oxoacetyl]-propan-2-ylamino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[isopropyl-[2-keto-2-(4-methylcyclohexyl)acetyl]amino]-5-phenyl-2-thenoic acid Formula: C23H27NO4S MolecularWeight: 413.52978

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)C(=O)N(C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C(C)C

Isomeric SMILES

CC1CCC(CC1)C(=O)C(=O)N(C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C(C)C

InChI

InChI=1S/C23H27NO4S/c1-14(2)24(22(26)20(25)17-11-9-15(3)10-12-17)18-13-19(29-21(18)23(27)28)16-7-5-4-6-8-16/h4-8,13-15,17H,9-12H2,1-3H3,(H,27,28)