2-[(4-methoxyphenyl)methylsulfanyl]-3-phenyl-benzoic acid; (sulfinoamino)ethane

Systemtic Name: 2-[(4-methoxyphenyl)methylsulfanyl]-3-phenyl-benzoic acid; (sulfinoamino)ethane Openeye Name: 2-[(4-methoxyphenyl)methylsulfanyl]-3-phenyl-benzoic acid; (sulfinoamino)ethane CAS Name: 2-[(4-methoxyphenyl)methylthio]-3-phenylbenzoic acid; (sulfinoamino)ethane IUPAC Name: 2-[(4-methoxyphenyl)methylsulfanyl]-3-phenylbenzoic acid; (sulfinoamino)ethane Traditional Name: 2-(p-anisylthio)-3-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=C(C=C1)CSC2=C(C=CC=C2C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CCNS(=O)O.COC1=CC=C(C=C1)CSC2=C(C=CC=C2C(=O)O)C3=CC=CC=C3

InChI

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