[4-oxidanylidene-1-[[3-phenyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]propanoyl]amino]azetidin-2-yl] ethanoate

Systemtic Name: [4-oxidanylidene-1-[[3-phenyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]propanoyl]amino]azetidin-2-yl] ethanoate Openeye Name: [4-oxo-1-[[3-phenyl-2-[[(E)-3-(2-thienyl)prop-2-enoyl]amino]propanoyl]amino]azetidin-2-yl] acetate CAS Name: acetic acid [4-oxo-1-[[1-oxo-2-[[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]-3-phenylpropyl]amino]-2-azetidinyl] ester IUPAC Name: [4-oxo-1-[[3-phenyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]propanoyl]amino]azetidin-2-yl] acetate Traditional Name: acetic acid [4-keto-1-[[3-phenyl-2-[[(E)-3-(2-thienyl)acryloyl]amino]propanoyl]amino]azetidin-2-yl] ester Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC(=O)N1NC(=O)C(CC2=CC=CC=C2)NC(=O)C=CC3=CC=CS3

Isomeric SMILES

CC(=O)OC1CC(=O)N1NC(=O)C(CC2=CC=CC=C2)NC(=O)/C=C/C3=CC=CS3

InChI

InChI=1S/C21H21N3O5S/c1-14(25)29-20-13-19(27)24(20)23-21(28)17(12-15-6-3-2-4-7-15)22-18(26)10-9-16-8-5-11-30-16/h2-11,17,20H,12-13H2,1H3,(H,22,26)(H,23,28)/b10-9+