2-[2-(3-ethoxy-3-oxidanylidene-propyl)sulfanyl-3-[2-(2-nitrophenyl)ethanoylamino]-4-oxidanylidene-azetidin-1-yl]-3-methyl-but-2-enoic acid

Systemtic Name: 2-[2-(3-ethoxy-3-oxidanylidene-propyl)sulfanyl-3-[2-(2-nitrophenyl)ethanoylamino]-4-oxidanylidene-azetidin-1-yl]-3-methyl-but-2-enoic acid Openeye Name: 2-[2-(3-ethoxy-3-oxo-propyl)sulfanyl-3-[[2-(2-nitrophenyl)acetyl]amino]-4-oxo-azetidin-1-yl]-3-methyl-but-2-enoic acid CAS Name: 2-[2-[(3-ethoxy-3-oxopropyl)thio]-3-[[2-(2-nitrophenyl)-1-oxoethyl]amino]-4-oxo-1-azetidinyl]-3-methyl-2-butenoic acid IUPAC Name: 2-[2-(3-ethoxy-3-oxopropyl)sulfanyl-3-[[2-(2-nitrophenyl)acetyl]amino]-4-oxoazetidin-1-yl]-3-methylbut-2-enoic acid Traditional Name: 2-[2-[(3-ethoxy-3-keto-propyl)thio]-4-keto-3-[[2-(2-nitrophenyl)acetyl]amino]azetidin-1-yl]-3-methyl-but-2-enoic acid Formula: C21H25N3O8S MolecularWeight: 479.5035

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCSC1C(C(=O)N1C(=C(C)C)C(=O)O)NC(=O)CC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCSC1C(C(=O)N1C(=C(C)C)C(=O)O)NC(=O)CC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O8S/c1-4-32-16(26)9-10-33-20-17(19(27)23(20)18(12(2)3)21(28)29)22-15(25)11-13-7-5-6-8-14(13)24(30)31/h5-8,17,20H,4,9-11H2,1-3H3,(H,22,25)(H,28,29)