[2-[2-(2-methylphenyl)ethylamino]-2-oxidanylidene-ethyl] (E)-3-thiophen-3-ylprop-2-enoate

Systemtic Name: [2-[2-(2-methylphenyl)ethylamino]-2-oxidanylidene-ethyl] (E)-3-thiophen-3-ylprop-2-enoate Openeye Name: [2-[2-(o-tolyl)ethylamino]-2-oxo-ethyl] (E)-3-(3-thienyl)prop-2-enoate CAS Name: (E)-3-(3-thiophenyl)-2-propenoic acid [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate Traditional Name: (E)-3-(3-thienyl)acrylic acid [2-keto-2-[2-(o-tolyl)ethylamino]ethyl] ester Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCNC(=O)COC(=O)C=CC2=CSC=C2

Isomeric SMILES

CC1=CC=CC=C1CCNC(=O)COC(=O)/C=C/C2=CSC=C2

InChI

InChI=1S/C18H19NO3S/c1-14-4-2-3-5-16(14)8-10-19-17(20)12-22-18(21)7-6-15-9-11-23-13-15/h2-7,9,11,13H,8,10,12H2,1H3,(H,19,20)/b7-6+