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

Systemtic Name: 3-[(5-methyloxan-2-yl)carbonyl-propan-2-yl-amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[isopropyl-(5-methyltetrahydropyran-2-carbonyl)amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[(5-methyl-2-oxanyl)-oxomethyl]-propan-2-ylamino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(5-methyloxane-2-carbonyl)-propan-2-ylamino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[isopropyl-(5-methyltetrahydropyran-2-carbonyl)amino]-5-phenyl-2-thenoic acid Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(OC1)C(=O)N(C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C(C)C

Isomeric SMILES

CC1CCC(OC1)C(=O)N(C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C(C)C

InChI

InChI=1S/C21H25NO4S/c1-13(2)22(20(23)17-10-9-14(3)12-26-17)16-11-18(27-19(16)21(24)25)15-7-5-4-6-8-15/h4-8,11,13-14,17H,9-10,12H2,1-3H3,(H,24,25)