8-[[4-[2-[(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid

Systemtic Name: 8-[[4-[2-[(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[4-[2-(2-methoxyanilino)-2-oxo-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[[4-[[2-(2-methoxyanilino)-2-oxoethyl]thio]anilino]-oxomethyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[4-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[4-[[2-keto-2-(o-anisidino)ethyl]thio]phenyl]carbamoyl]-1-naphthoic acid Formula: C27H22N2O5S MolecularWeight: 486.53898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)CSC2=CC=C(C=C2)NC(=O)C3=CC=CC4=C3C(=CC=C4)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1NC(=O)CSC2=CC=C(C=C2)NC(=O)C3=CC=CC4=C3C(=CC=C4)C(=O)O

InChI

InChI=1S/C27H22N2O5S/c1-34-23-11-3-2-10-22(23)29-24(30)16-35-19-14-12-18(13-15-19)28-26(31)20-8-4-6-17-7-5-9-21(25(17)20)27(32)33/h2-15H,16H2,1H3,(H,28,31)(H,29,30)(H,32,33)