methyl 2-[2-(aminocarbonylamino)sulfinamoyl-3-[2-(3-nitrophenoxy)ethanoylamino]-4-oxidanylidene-azetidin-1-yl]-3-methyl-but-3-enoate

Systemtic Name: methyl 2-[2-(aminocarbonylamino)sulfinamoyl-3-[2-(3-nitrophenoxy)ethanoylamino]-4-oxidanylidene-azetidin-1-yl]-3-methyl-but-3-enoate Openeye Name: methyl 3-methyl-2-[3-[[2-(3-nitrophenoxy)acetyl]amino]-2-oxo-4-ureidosulfinamoyl-azetidin-1-yl]but-3-enoate CAS Name: 2-[2-(carbamoylamino)sulfinamoyl-3-[[2-(3-nitrophenoxy)-1-oxoethyl]amino]-4-oxo-1-azetidinyl]-3-methyl-3-butenoic acid methyl ester IUPAC Name: methyl 2-[2-(carbamoylamino)sulfinamoyl-3-[[2-(3-nitrophenoxy)acetyl]amino]-4-oxoazetidin-1-yl]-3-methylbut-3-enoate Traditional Name: 2-[2-keto-3-[[2-(3-nitrophenoxy)acetyl]amino]-4-ureidosulfinamoyl-azetidin-1-yl]-3-methyl-but-3-enoic acid methyl ester Formula: C18H22N6O9S MolecularWeight: 498.46708

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(C(=O)OC)N1C(C(C1=O)NC(=O)COC2=CC=CC(=C2)[N+](=O)[O-])S(=O)NNC(=O)N

Isomeric SMILES

CC(=C)C(C(=O)OC)N1C(C(C1=O)NC(=O)COC2=CC=CC(=C2)[N+](=O)[O-])S(=O)NNC(=O)N

InChI

InChI=1S/C18H22N6O9S/c1-9(2)14(17(27)32-3)23-15(26)13(16(23)34(31)22-21-18(19)28)20-12(25)8-33-11-6-4-5-10(7-11)24(29)30/h4-7,13-14,16,22H,1,8H2,2-3H3,(H,20,25)(H3,19,21,28)