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

Systemtic Name: 3-[2-adamantylcarbonyl(propan-2-yl)amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[adamantane-2-carbonyl(isopropyl)amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[2-adamantyl(oxo)methyl]-propan-2-ylamino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[adamantane-2-carbonyl(propan-2-yl)amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[adamantane-2-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)C3C4CC5CC(C4)CC3C5

Isomeric SMILES

CC(C)N(C1=C(SC(=C1)C2=CC=CC=C2)C(=O)O)C(=O)C3C4CC5CC(C4)CC3C5

InChI

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