[2-[4-(butanoylamino)phenyl]-2-oxidanylidene-ethyl] (E)-3-(3-methylthiophen-2-yl)prop-2-enoate

Systemtic Name: [2-[4-(butanoylamino)phenyl]-2-oxidanylidene-ethyl] (E)-3-(3-methylthiophen-2-yl)prop-2-enoate Openeye Name: [2-[4-(butanoylamino)phenyl]-2-oxo-ethyl] (E)-3-(3-methyl-2-thienyl)prop-2-enoate CAS Name: (E)-3-(3-methyl-2-thiophenyl)-2-propenoic acid [2-oxo-2-[4-(1-oxobutylamino)phenyl]ethyl] ester IUPAC Name: [2-[4-(butanoylamino)phenyl]-2-oxoethyl] (E)-3-(3-methylthiophen-2-yl)prop-2-enoate Traditional Name: (E)-3-(3-methyl-2-thienyl)acrylic acid [2-(4-butyramidophenyl)-2-keto-ethyl] ester Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C=CC2=C(C=CS2)C

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)/C=C/C2=C(C=CS2)C

InChI

InChI=1S/C20H21NO4S/c1-3-4-19(23)21-16-7-5-15(6-8-16)17(22)13-25-20(24)10-9-18-14(2)11-12-26-18/h5-12H,3-4,13H2,1-2H3,(H,21,23)/b10-9+