methyl 4-methyl-3-[2-[(E)-3-thiophen-3-ylprop-2-enoyl]oxyethanoylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[2-[(E)-3-thiophen-3-ylprop-2-enoyl]oxyethanoylamino]benzoate Openeye Name: methyl 4-methyl-3-[[2-[(E)-3-(3-thienyl)prop-2-enoyl]oxyacetyl]amino]benzoate CAS Name: 4-methyl-3-[[1-oxo-2-[(E)-1-oxo-3-(3-thiophenyl)prop-2-enoxy]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[2-[(E)-3-thiophen-3-ylprop-2-enoyl]oxyacetyl]amino]benzoate Traditional Name: 4-methyl-3-[[2-[(E)-3-(3-thienyl)acryloyl]oxyacetyl]amino]benzoic acid methyl ester Formula: C18H17NO5S MolecularWeight: 359.39628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)COC(=O)C=CC2=CSC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)COC(=O)/C=C/C2=CSC=C2

InChI

InChI=1S/C18H17NO5S/c1-12-3-5-14(18(22)23-2)9-15(12)19-16(20)10-24-17(21)6-4-13-7-8-25-11-13/h3-9,11H,10H2,1-2H3,(H,19,20)/b6-4+