[2-(2-methylpropylamino)-2-oxidanylidene-ethyl] (E)-3-(5-phenylthiophen-2-yl)prop-2-enoate

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] (E)-3-(5-phenylthiophen-2-yl)prop-2-enoate Openeye Name: [2-(isobutylamino)-2-oxo-ethyl] (E)-3-(5-phenyl-2-thienyl)prop-2-enoate CAS Name: (E)-3-(5-phenyl-2-thiophenyl)-2-propenoic acid [2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] (E)-3-(5-phenylthiophen-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-phenyl-2-thienyl)acrylic acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)COC(=O)C=CC1=CC=C(S1)C2=CC=CC=C2

Isomeric SMILES

CC(C)CNC(=O)COC(=O)/C=C/C1=CC=C(S1)C2=CC=CC=C2

InChI

InChI=1S/C19H21NO3S/c1-14(2)12-20-18(21)13-23-19(22)11-9-16-8-10-17(24-16)15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H,20,21)/b11-9+