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

Systemtic Name: methyl 2-methoxy-5-[(3-thiophen-3-ylpropanoylamino)methyl]benzoate Openeye Name: methyl 2-methoxy-5-[[3-(3-thienyl)propanoylamino]methyl]benzoate CAS Name: 2-methoxy-5-[[[1-oxo-3-(3-thiophenyl)propyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-methoxy-5-[(3-thiophen-3-ylpropanoylamino)methyl]benzoate Traditional Name: 2-methoxy-5-[[3-(3-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=CSC=C2)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CCC2=CSC=C2)C(=O)OC

InChI

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