3-[[4-(2-aminocarbonylphenyl)sulfanyl-1-oxidanyl-naphthalen-2-yl]carbonyl-carboxy-amino]benzoic acid

Systemtic Name: 3-[[4-(2-aminocarbonylphenyl)sulfanyl-1-oxidanyl-naphthalen-2-yl]carbonyl-carboxy-amino]benzoic acid Openeye Name: 3-[[4-(2-carbamoylphenyl)sulfanyl-1-hydroxy-naphthalene-2-carbonyl]-carboxy-amino]benzoic acid CAS Name: 3-[[[4-[(2-carbamoylphenyl)thio]-1-hydroxy-2-naphthalenyl]-oxomethyl]-carboxyamino]benzoic acid IUPAC Name: 3-[[4-(2-carbamoylphenyl)sulfanyl-1-hydroxynaphthalene-2-carbonyl]-carboxyamino]benzoic acid Traditional Name: 3-[[4-[(2-carbamoylphenyl)thio]-1-hydroxy-2-naphthoyl]-carboxy-amino]benzoic acid Formula: C26H18N2O7S MolecularWeight: 502.49532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=C2O)C(=O)N(C3=CC=CC(=C3)C(=O)O)C(=O)O)SC4=CC=CC=C4C(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=C2O)C(=O)N(C3=CC=CC(=C3)C(=O)O)C(=O)O)SC4=CC=CC=C4C(=O)N

InChI

InChI=1S/C26H18N2O7S/c27-23(30)18-10-3-4-11-20(18)36-21-13-19(22(29)17-9-2-1-8-16(17)21)24(31)28(26(34)35)15-7-5-6-14(12-15)25(32)33/h1-13,29H,(H2,27,30)(H,32,33)(H,34,35)