methyl 4-(2-propan-2-ylsulfanylethanoylamino)benzoate

Systemtic Name: methyl 4-(2-propan-2-ylsulfanylethanoylamino)benzoate Openeye Name: methyl 4-[(2-isopropylsulfanylacetyl)amino]benzoate CAS Name: 4-[[1-oxo-2-(propan-2-ylthio)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-propan-2-ylsulfanylacetyl)amino]benzoate Traditional Name: 4-[[2-(isopropylthio)acetyl]amino]benzoic acid methyl ester Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCC(=O)NC1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

CC(C)SCC(=O)NC1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C13H17NO3S/c1-9(2)18-8-12(15)14-11-6-4-10(5-7-11)13(16)17-3/h4-7,9H,8H2,1-3H3,(H,14,15)