methyl 4-[(3-thiophen-3-ylpropanoylamino)methyl]benzoate

Systemtic Name: methyl 4-[(3-thiophen-3-ylpropanoylamino)methyl]benzoate Openeye Name: methyl 4-[[3-(3-thienyl)propanoylamino]methyl]benzoate CAS Name: 4-[[[1-oxo-3-(3-thiophenyl)propyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-thiophen-3-ylpropanoylamino)methyl]benzoate Traditional Name: 4-[[3-(3-thienyl)propanoylamino]methyl]benzoic acid methyl ester Formula: C16H17NO3S MolecularWeight: 303.37608

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CCC2=CSC=C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CCC2=CSC=C2

InChI

InChI=1S/C16H17NO3S/c1-20-16(19)14-5-2-12(3-6-14)10-17-15(18)7-4-13-8-9-21-11-13/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,17,18)