8-[[4-[(7-oxidanyl-2-oxidanylidene-chromen-3-yl)methylsulfanyl]phenyl]carbamoyl]naphthalene-1-carboxylic acid

Systemtic Name: 8-[[4-[(7-oxidanyl-2-oxidanylidene-chromen-3-yl)methylsulfanyl]phenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[4-[(7-hydroxy-2-oxo-chromen-3-yl)methylsulfanyl]phenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[[4-[(7-hydroxy-2-oxo-1-benzopyran-3-yl)methylthio]anilino]-oxomethyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[4-[(7-hydroxy-2-oxochromen-3-yl)methylsulfanyl]phenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[4-[(7-hydroxy-2-keto-chromen-3-yl)methylthio]phenyl]carbamoyl]-1-naphthoic acid Formula: C28H19NO6S MolecularWeight: 497.51856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)C(=O)NC3=CC=C(C=C3)SCC4=CC5=C(C=C(C=C5)O)OC4=O)C(=CC=C2)C(=O)O

Isomeric SMILES

C1=CC2=C(C(=C1)C(=O)NC3=CC=C(C=C3)SCC4=CC5=C(C=C(C=C5)O)OC4=O)C(=CC=C2)C(=O)O

InChI

InChI=1S/C28H19NO6S/c30-20-10-7-17-13-18(28(34)35-24(17)14-20)15-36-21-11-8-19(9-12-21)29-26(31)22-5-1-3-16-4-2-6-23(25(16)22)27(32)33/h1-14,30H,15H2,(H,29,31)(H,32,33)