sodium 2-[5-methoxy-2-methyl-1-[(4-methylsulfanylphenyl)methyl]indol-3-yl]propanoate

Systemtic Name: sodium 2-[5-methoxy-2-methyl-1-[(4-methylsulfanylphenyl)methyl]indol-3-yl]propanoate Openeye Name: sodium 2-[5-methoxy-2-methyl-1-[(4-methylsulfanylphenyl)methyl]indol-3-yl]propanoate CAS Name: sodium 2-[5-methoxy-2-methyl-1-[[4-(methylthio)phenyl]methyl]-3-indolyl]propanoate IUPAC Name: sodium 2-[5-methoxy-2-methyl-1-[(4-methylsulfanylphenyl)methyl]indol-3-yl]propanoate Traditional Name: sodium 2-[5-methoxy-2-methyl-1-[4-(methylthio)benzyl]indol-3-yl]propionate Formula: C21H22NNaO3S MolecularWeight: 391.45905

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=C(C=C3)SC)C=CC(=C2)OC)C(C)C(=O)[O-].[Na+]

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=C(C=C3)SC)C=CC(=C2)OC)C(C)C(=O)[O-].[Na+]

InChI

InChI=1S/C21H23NO3S.Na/c1-13(21(23)24)20-14(2)22(12-15-5-8-17(26-4)9-6-15)19-10-7-16(25-3)11-18(19)20;/h5-11,13H,12H2,1-4H3,(H,23,24);/q;+1/p-1