methyl 4-[2-(1,3-benzoxazol-2-ylsulfanyl)propanoylamino]benzoate

Systemtic Name: methyl 4-[2-(1,3-benzoxazol-2-ylsulfanyl)propanoylamino]benzoate Openeye Name: methyl 4-[2-(1,3-benzoxazol-2-ylsulfanyl)propanoylamino]benzoate CAS Name: 4-[[2-(1,3-benzoxazol-2-ylthio)-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(1,3-benzoxazol-2-ylsulfanyl)propanoylamino]benzoate Traditional Name: 4-[2-(1,3-benzoxazol-2-ylthio)propanoylamino]benzoic acid methyl ester Formula: C18H16N2O4S MolecularWeight: 356.39564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)OC)SC2=NC3=CC=CC=C3O2

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)OC)SC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C18H16N2O4S/c1-11(25-18-20-14-5-3-4-6-15(14)24-18)16(21)19-13-9-7-12(8-10-13)17(22)23-2/h3-11H,1-2H3,(H,19,21)