3-[(4-methyl-2-oxidanyl-phenyl)carbonyl-propan-2-yl-amino]-5-(3-methylphenyl)thiophene-2-carboxylic acid

Systemtic Name: 3-[(4-methyl-2-oxidanyl-phenyl)carbonyl-propan-2-yl-amino]-5-(3-methylphenyl)thiophene-2-carboxylic acid Openeye Name: 3-[(2-hydroxy-4-methyl-benzoyl)-isopropyl-amino]-5-(m-tolyl)thiophene-2-carboxylic acid CAS Name: 3-[[(2-hydroxy-4-methylphenyl)-oxomethyl]-propan-2-ylamino]-5-(3-methylphenyl)-2-thiophenecarboxylic acid IUPAC Name: 3-[(2-hydroxy-4-methylbenzoyl)-propan-2-ylamino]-5-(3-methylphenyl)thiophene-2-carboxylic acid Traditional Name: 3-[(2-hydroxy-4-methyl-benzoyl)-isopropyl-amino]-5-(m-tolyl)-2-thenoic acid Formula: C23H23NO4S MolecularWeight: 409.49802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)N(C2=C(SC(=C2)C3=CC(=CC=C3)C)C(=O)O)C(C)C)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)N(C2=C(SC(=C2)C3=CC(=CC=C3)C)C(=O)O)C(C)C)O

InChI

InChI=1S/C23H23NO4S/c1-13(2)24(22(26)17-9-8-15(4)11-19(17)25)18-12-20(29-21(18)23(27)28)16-7-5-6-14(3)10-16/h5-13,25H,1-4H3,(H,27,28)