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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C(=O)N1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C=CC3=CC=CS3

Isomeric SMILES

CC(=O)OC1C(C(=O)N1)NC(=O)C(CC2=CC=CC=C2)NC(=O)/C=C/C3=CC=CS3

InChI

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