3-(2-bromanylethanoylamino)-1-[3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-but-3-en-2-yl]-4-oxidanylidene-azetidine-2-sulfinic acid

Systemtic Name: 3-(2-bromanylethanoylamino)-1-[3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-but-3-en-2-yl]-4-oxidanylidene-azetidine-2-sulfinic acid Openeye Name: 3-[(2-bromoacetyl)amino]-1-(1-tert-butoxycarbonyl-2-methyl-allyl)-4-oxo-azetidine-2-sulfinic acid CAS Name: 3-[(2-bromo-1-oxoethyl)amino]-1-[3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobut-3-en-2-yl]-4-oxo-2-azetidinesulfinic acid IUPAC Name: 3-[(2-bromoacetyl)amino]-1-[3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobut-3-en-2-yl]-4-oxoazetidine-2-sulfinic acid Traditional Name: 3-[(2-bromoacetyl)amino]-1-(1-tert-butoxycarbonyl-2-methyl-allyl)-4-keto-azetidine-2-sulfinic acid Formula: C14H21BrN2O6S MolecularWeight: 425.29534

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(C(=O)OC(C)(C)C)N1C(C(C1=O)NC(=O)CBr)S(=O)O

Isomeric SMILES

CC(=C)C(C(=O)OC(C)(C)C)N1C(C(C1=O)NC(=O)CBr)S(=O)O

InChI

InChI=1S/C14H21BrN2O6S/c1-7(2)10(13(20)23-14(3,4)5)17-11(19)9(12(17)24(21)22)16-8(18)6-15/h9-10,12H,1,6H2,2-5H3,(H,16,18)(H,21,22)