8-[[3-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid

Systemtic Name: 8-[[3-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[3-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[[3-[[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]thio]anilino]-oxomethyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[3-[[2-(1,3-benzodioxol-5-yl)-2-keto-ethyl]thio]phenyl]carbamoyl]-1-naphthoic acid Formula: C27H19NO6S MolecularWeight: 485.50786

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)CSC3=CC=CC(=C3)NC(=O)C4=CC=CC5=C4C(=CC=C5)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)CSC3=CC=CC(=C3)NC(=O)C4=CC=CC5=C4C(=CC=C5)C(=O)O

InChI

InChI=1S/C27H19NO6S/c29-22(17-10-11-23-24(12-17)34-15-33-23)14-35-19-7-3-6-18(13-19)28-26(30)20-8-1-4-16-5-2-9-21(25(16)20)27(31)32/h1-13H,14-15H2,(H,28,30)(H,31,32)