sodium 6-chloranyl-7-[4-[2-(4-methylsulfanylphenyl)ethylcarbamoyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylate

Systemtic Name: sodium 6-chloranyl-7-[4-[2-(4-methylsulfanylphenyl)ethylcarbamoyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylate Openeye Name: sodium 6-chloro-7-[4-[2-(4-methylsulfanylphenyl)ethylcarbamoyl]phenoxy]chromane-4-carboxylate CAS Name: sodium 6-chloro-7-[4-[[2-[4-(methylthio)phenyl]ethylamino]-oxomethyl]phenoxy]-3,4-dihydro-2H-1-benzopyran-4-carboxylate IUPAC Name: sodium 6-chloro-7-[4-[2-(4-methylsulfanylphenyl)ethylcarbamoyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylate Traditional Name: sodium 6-chloro-7-[4-[2-[4-(methylthio)phenyl]ethylcarbamoyl]phenoxy]chroman-4-carboxylate Formula: C26H23ClNNaO5S MolecularWeight: 519.97229

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)OC3=C(C=C4C(CCOC4=C3)C(=O)[O-])Cl.[Na+]

Isomeric SMILES

CSC1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)OC3=C(C=C4C(CCOC4=C3)C(=O)[O-])Cl.[Na+]

InChI

InChI=1S/C26H24ClNO5S.Na/c1-34-19-8-2-16(3-9-19)10-12-28-25(29)17-4-6-18(7-5-17)33-24-15-23-21(14-22(24)27)20(26(30)31)11-13-32-23;/h2-9,14-15,20H,10-13H2,1H3,(H,28,29)(H,30,31);/q;+1/p-1