2-[(3-methoxyphenyl)methylsulfanyl]-5-phenyl-benzoic acid; (sulfinoamino)ethane

Systemtic Name: 2-[(3-methoxyphenyl)methylsulfanyl]-5-phenyl-benzoic acid; (sulfinoamino)ethane Openeye Name: 2-[(3-methoxyphenyl)methylsulfanyl]-5-phenyl-benzoic acid; (sulfinoamino)ethane CAS Name: 2-[(3-methoxyphenyl)methylthio]-5-phenylbenzoic acid; (sulfinoamino)ethane IUPAC Name: 2-[(3-methoxyphenyl)methylsulfanyl]-5-phenylbenzoic acid; (sulfinoamino)ethane Traditional Name: 2-(m-anisylthio)-5-phenyl-benzoic acid; (sulfinoamino)ethane Formula: C23H25NO5S2 MolecularWeight: 459.5783

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Descriptors Computed from Structure

Canonical SMILES:

CCNS(=O)O.COC1=CC=CC(=C1)CSC2=C(C=C(C=C2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCNS(=O)O.COC1=CC=CC(=C1)CSC2=C(C=C(C=C2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H18O3S.C2H7NO2S/c1-24-18-9-5-6-15(12-18)14-25-20-11-10-17(13-19(20)21(22)23)16-7-3-2-4-8-16;1-2-3-6(4)5/h2-13H,14H2,1H3,(H,22,23);3H,2H2,1H3,(H,4,5)