methyl 4-chloranyl-3-[2-(diphenylmethyl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[2-(diphenylmethyl)sulfanylethanoylamino]benzoate Openeye Name: methyl 3-[(2-benzhydrylsulfanylacetyl)amino]-4-chloro-benzoate CAS Name: 4-chloro-3-[[2-[(diphenylmethyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(2-benzhydrylsulfanylacetyl)amino]-4-chlorobenzoate Traditional Name: 3-[[2-(benzhydrylthio)acetyl]amino]-4-chloro-benzoic acid methyl ester Formula: C23H20ClNO3S MolecularWeight: 425.9278

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CSC(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CSC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H20ClNO3S/c1-28-23(27)18-12-13-19(24)20(14-18)25-21(26)15-29-22(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,22H,15H2,1H3,(H,25,26)