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

Systemtic Name: 3-[[2-[(E)-hydroxyiminomethyl]-4-methyl-phenyl]carbonyl-propan-2-yl-amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[[2-[(E)-hydroxyiminomethyl]-4-methyl-benzoyl]-isopropyl-amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[[2-[(E)-hydroxyiminomethyl]-4-methylphenyl]-oxomethyl]-propan-2-ylamino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[[2-[(E)-hydroxyiminomethyl]-4-methylbenzoyl]-propan-2-ylamino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[[2-[(E)-hydroximinomethyl]-4-methyl-benzoyl]-isopropyl-amino]-5-phenyl-2-thenoic acid Formula: C23H22N2O4S MolecularWeight: 422.49678

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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(=O)O)C(C)C)C=NO

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O4S/c1-14(2)25(22(26)18-10-9-15(3)11-17(18)13-24-29)19-12-20(30-21(19)23(27)28)16-7-5-4-6-8-16/h4-14,29H,1-3H3,(H,27,28)/b24-13+