8-[[4-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid

Systemtic Name: 8-[[4-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[4-[2-(3,4-dimethoxyphenyl)-2-oxo-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[[4-[[2-(3,4-dimethoxyphenyl)-2-oxoethyl]thio]anilino]-oxomethyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[4-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[4-[[2-(3,4-dimethoxyphenyl)-2-keto-ethyl]thio]phenyl]carbamoyl]-1-naphthoic acid Formula: C28H23NO6S MolecularWeight: 501.55032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=CC=C(C=C2)NC(=O)C3=CC=CC4=C3C(=CC=C4)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=CC=C(C=C2)NC(=O)C3=CC=CC4=C3C(=CC=C4)C(=O)O)OC

InChI

InChI=1S/C28H23NO6S/c1-34-24-14-9-18(15-25(24)35-2)23(30)16-36-20-12-10-19(11-13-20)29-27(31)21-7-3-5-17-6-4-8-22(26(17)21)28(32)33/h3-15H,16H2,1-2H3,(H,29,31)(H,32,33)