[4-oxidanylidene-3-[[2-(3-phenylpropanoylamino)-3-thiophen-2-yl-propanoyl]amino]azetidin-2-yl] ethanoate

Systemtic Name: [4-oxidanylidene-3-[[2-(3-phenylpropanoylamino)-3-thiophen-2-yl-propanoyl]amino]azetidin-2-yl] ethanoate Openeye Name: [4-oxo-3-[[2-(3-phenylpropanoylamino)-3-(2-thienyl)propanoyl]amino]azetidin-2-yl] acetate CAS Name: acetic acid [4-oxo-3-[[1-oxo-2-[(1-oxo-3-phenylpropyl)amino]-3-thiophen-2-ylpropyl]amino]-2-azetidinyl] ester IUPAC Name: [4-oxo-3-[[2-(3-phenylpropanoylamino)-3-thiophen-2-ylpropanoyl]amino]azetidin-2-yl] acetate Traditional Name: acetic acid [3-[[2-(hydrocinnamoylamino)-3-(2-thienyl)propanoyl]amino]-4-keto-azetidin-2-yl] ester Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C(=O)N1)NC(=O)C(CC2=CC=CS2)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CC(=O)OC1C(C(=O)N1)NC(=O)C(CC2=CC=CS2)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O5S/c1-13(25)29-21-18(20(28)24-21)23-19(27)16(12-15-8-5-11-30-15)22-17(26)10-9-14-6-3-2-4-7-14/h2-8,11,16,18,21H,9-10,12H2,1H3,(H,22,26)(H,23,27)(H,24,28)