3-[1-adamantylcarbonyl(propan-2-yl)amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[1-adamantylcarbonyl(propan-2-yl)amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[adamantane-1-carbonyl(isopropyl)amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[1-adamantyl(oxo)methyl]-propan-2-ylamino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[adamantane-1-carbonyl(propan-2-yl)amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[adamantane-1-carbonyl(isopropyl)amino]-5-phenyl-2-thenoic acid Formula: C25H29NO3S MolecularWeight: 423.56766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=C(SC(=C1)C2=CC=CC=C2)C(=O)O)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)N(C1=C(SC(=C1)C2=CC=CC=C2)C(=O)O)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H29NO3S/c1-15(2)26(24(29)25-12-16-8-17(13-25)10-18(9-16)14-25)20-11-21(30-22(20)23(27)28)19-6-4-3-5-7-19/h3-7,11,15-18H,8-10,12-14H2,1-2H3,(H,27,28)