1-(1-methoxy-3-methyl-1-oxidanylidene-but-2-en-2-yl)-4-oxidanylidene-3-(2-phenoxyethanoylamino)azetidine-2-sulfonic acid

Systemtic Name: 1-(1-methoxy-3-methyl-1-oxidanylidene-but-2-en-2-yl)-4-oxidanylidene-3-(2-phenoxyethanoylamino)azetidine-2-sulfonic acid Openeye Name: 1-(1-methoxycarbonyl-2-methyl-prop-1-enyl)-4-oxo-3-[(2-phenoxyacetyl)amino]azetidine-2-sulfonic acid CAS Name: 1-(1-methoxy-3-methyl-1-oxobut-2-en-2-yl)-4-oxo-3-[(1-oxo-2-phenoxyethyl)amino]-2-azetidinesulfonic acid IUPAC Name: 1-(1-methoxy-3-methyl-1-oxobut-2-en-2-yl)-4-oxo-3-[(2-phenoxyacetyl)amino]azetidine-2-sulfonic acid Traditional Name: 1-(1-carbomethoxy-2-methyl-prop-1-enyl)-4-keto-3-[(2-phenoxyacetyl)amino]azetidine-2-sulfonic acid Formula: C17H20N2O8S MolecularWeight: 412.4143

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)OC)N1C(C(C1=O)NC(=O)COC2=CC=CC=C2)S(=O)(=O)O)C

Isomeric SMILES

CC(=C(C(=O)OC)N1C(C(C1=O)NC(=O)COC2=CC=CC=C2)S(=O)(=O)O)C

InChI

InChI=1S/C17H20N2O8S/c1-10(2)14(17(22)26-3)19-15(21)13(16(19)28(23,24)25)18-12(20)9-27-11-7-5-4-6-8-11/h4-8,13,16H,9H2,1-3H3,(H,18,20)(H,23,24,25)