methyl 4-[(2-iodanylphenyl)-(phenylmethyl)amino]-4-oxidanylidene-3-(phenylsulfanylmethyl)butanoate

Systemtic Name: methyl 4-[(2-iodanylphenyl)-(phenylmethyl)amino]-4-oxidanylidene-3-(phenylsulfanylmethyl)butanoate Openeye Name: methyl 4-(N-benzyl-2-iodo-anilino)-4-oxo-3-(phenylsulfanylmethyl)butanoate CAS Name: 4-(2-iodo-N-(phenylmethyl)anilino)-4-oxo-3-[(phenylthio)methyl]butanoic acid methyl ester IUPAC Name: methyl 4-(N-benzyl-2-iodoanilino)-4-oxo-3-(phenylsulfanylmethyl)butanoate Traditional Name: 4-(N-benzyl-2-iodo-anilino)-4-keto-3-[(phenylthio)methyl]butyric acid methyl ester Formula: C25H24INO3S MolecularWeight: 545.43243

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CSC1=CC=CC=C1)C(=O)N(CC2=CC=CC=C2)C3=CC=CC=C3I

Isomeric SMILES

COC(=O)CC(CSC1=CC=CC=C1)C(=O)N(CC2=CC=CC=C2)C3=CC=CC=C3I

InChI

InChI=1S/C25H24INO3S/c1-30-24(28)16-20(18-31-21-12-6-3-7-13-21)25(29)27(17-19-10-4-2-5-11-19)23-15-9-8-14-22(23)26/h2-15,20H,16-18H2,1H3