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

Systemtic Name: 2-[3-[2-(3-cyanophenyl)ethanoylamino]-2-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-4-oxidanylidene-azetidin-1-yl]-3-methyl-but-2-enoic acid Openeye Name: 2-[3-[[2-(3-cyanophenyl)acetyl]amino]-2-(3-methoxy-3-oxo-propyl)sulfanyl-4-oxo-azetidin-1-yl]-3-methyl-but-2-enoic acid CAS Name: 2-[3-[[2-(3-cyanophenyl)-1-oxoethyl]amino]-2-[(3-methoxy-3-oxopropyl)thio]-4-oxo-1-azetidinyl]-3-methyl-2-butenoic acid IUPAC Name: 2-[3-[[2-(3-cyanophenyl)acetyl]amino]-2-(3-methoxy-3-oxopropyl)sulfanyl-4-oxoazetidin-1-yl]-3-methylbut-2-enoic acid Traditional Name: 2-[3-[[2-(3-cyanophenyl)acetyl]amino]-2-keto-4-[(3-keto-3-methoxy-propyl)thio]azetidin-1-yl]-3-methyl-but-2-enoic acid Formula: C21H23N3O6S MolecularWeight: 445.48882

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)O)N1C(C(C1=O)NC(=O)CC2=CC=CC(=C2)C#N)SCCC(=O)OC)C

Isomeric SMILES

CC(=C(C(=O)O)N1C(C(C1=O)NC(=O)CC2=CC=CC(=C2)C#N)SCCC(=O)OC)C

InChI

InChI=1S/C21H23N3O6S/c1-12(2)18(21(28)29)24-19(27)17(20(24)31-8-7-16(26)30-3)23-15(25)10-13-5-4-6-14(9-13)11-22/h4-6,9,17,20H,7-8,10H2,1-3H3,(H,23,25)(H,28,29)