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

Systemtic Name: 3-[(5-methyl-1,3-dioxan-2-yl)carbonyl-propan-2-yl-amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[isopropyl-(5-methyl-1,3-dioxane-2-carbonyl)amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[(5-methyl-1,3-dioxan-2-yl)-oxomethyl]-propan-2-ylamino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(5-methyl-1,3-dioxane-2-carbonyl)-propan-2-ylamino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[isopropyl-(5-methyl-1,3-dioxane-2-carbonyl)amino]-5-phenyl-2-thenoic acid Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

CC1COC(OC1)C(=O)N(C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C(C)C

Isomeric SMILES

CC1COC(OC1)C(=O)N(C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C(C)C

InChI

InChI=1S/C20H23NO5S/c1-12(2)21(18(22)20-25-10-13(3)11-26-20)15-9-16(27-17(15)19(23)24)14-7-5-4-6-8-14/h4-9,12-13,20H,10-11H2,1-3H3,(H,23,24)