methyl 2-methoxy-5-[(3-thiophen-2-ylpropanoylamino)methyl]benzoate

Systemtic Name: methyl 2-methoxy-5-[(3-thiophen-2-ylpropanoylamino)methyl]benzoate Openeye Name: methyl 2-methoxy-5-[[3-(2-thienyl)propanoylamino]methyl]benzoate CAS Name: 2-methoxy-5-[[(1-oxo-3-thiophen-2-ylpropyl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-methoxy-5-[(3-thiophen-2-ylpropanoylamino)methyl]benzoate Traditional Name: 2-methoxy-5-[[3-(2-thienyl)propanoylamino]methyl]benzoic acid methyl ester Formula: C17H19NO4S MolecularWeight: 333.40206

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CCC2=CC=CS2)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CCC2=CC=CS2)C(=O)OC

InChI

InChI=1S/C17H19NO4S/c1-21-15-7-5-12(10-14(15)17(20)22-2)11-18-16(19)8-6-13-4-3-9-23-13/h3-5,7,9-10H,6,8,11H2,1-2H3,(H,18,19)