methyl 2-methoxy-5-[(2-phenylsulfanylpropanoylamino)methyl]benzoate

Systemtic Name: methyl 2-methoxy-5-[(2-phenylsulfanylpropanoylamino)methyl]benzoate Openeye Name: methyl 2-methoxy-5-[(2-phenylsulfanylpropanoylamino)methyl]benzoate CAS Name: 2-methoxy-5-[[[1-oxo-2-(phenylthio)propyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-methoxy-5-[(2-phenylsulfanylpropanoylamino)methyl]benzoate Traditional Name: 2-methoxy-5-[[2-(phenylthio)propanoylamino]methyl]benzoic acid methyl ester Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC(=C(C=C1)OC)C(=O)OC)SC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)NCC1=CC(=C(C=C1)OC)C(=O)OC)SC2=CC=CC=C2

InChI

InChI=1S/C19H21NO4S/c1-13(25-15-7-5-4-6-8-15)18(21)20-12-14-9-10-17(23-2)16(11-14)19(22)24-3/h4-11,13H,12H2,1-3H3,(H,20,21)