2-[3-[2-(3-ethoxyphenyl)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-ethoxyphenyl)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-ethoxyphenyl)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-ethoxyphenyl)-1-oxoethyl]amino]-2-[(3-methoxy-3-oxopropyl)thio]-4-oxo-1-azetidinyl]-3-methyl-2-butenoic acid IUPAC Name: 2-[3-[[2-(3-ethoxyphenyl)acetyl]amino]-2-(3-methoxy-3-oxopropyl)sulfanyl-4-oxoazetidin-1-yl]-3-methylbut-2-enoic acid Traditional Name: 2-[2-keto-4-[(3-keto-3-methoxy-propyl)thio]-3-[(2-m-phenetylacetyl)amino]azetidin-1-yl]-3-methyl-but-2-enoic acid Formula: C22H28N2O7S MolecularWeight: 464.53192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)CC(=O)NC2C(N(C2=O)C(=C(C)C)C(=O)O)SCCC(=O)OC

Isomeric SMILES

CCOC1=CC=CC(=C1)CC(=O)NC2C(N(C2=O)C(=C(C)C)C(=O)O)SCCC(=O)OC

InChI

InChI=1S/C22H28N2O7S/c1-5-31-15-8-6-7-14(11-15)12-16(25)23-18-20(27)24(19(13(2)3)22(28)29)21(18)32-10-9-17(26)30-4/h6-8,11,18,21H,5,9-10,12H2,1-4H3,(H,23,25)(H,28,29)