(4-oxidanylidene-4-thiophen-2-yl-butyl) (2S)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) (2S)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoate Openeye Name: [4-oxo-4-(2-thienyl)butyl] (2S)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoate CAS Name: (2S)-2-[[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino]propanoic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) (2S)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoate Traditional Name: (2S)-2-[[(E)-3-(4-methoxyphenyl)acryloyl]amino]propionic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCCCC(=O)C1=CC=CS1)NC(=O)C=CC2=CC=C(C=C2)OC

Isomeric SMILES

C[C@@H](C(=O)OCCCC(=O)C1=CC=CS1)NC(=O)/C=C/C2=CC=C(C=C2)OC

InChI

InChI=1S/C21H23NO5S/c1-15(21(25)27-13-3-5-18(23)19-6-4-14-28-19)22-20(24)12-9-16-7-10-17(26-2)11-8-16/h4,6-12,14-15H,3,5,13H2,1-2H3,(H,22,24)/b12-9+/t15-/m0/s1