3-(4-azanyl-4-methyl-pent-2-ynyl)-7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxidanylidene-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-(4-azanyl-4-methyl-pent-2-ynyl)-7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxidanylidene-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(4-amino-4-methyl-pent-2-ynyl)-7-[[(2E)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-8-oxo-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-(4-amino-4-methylpent-2-ynyl)-7-[[(2E)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-8-oxo-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(4-amino-4-methylpent-2-ynyl)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-(4-amino-4-methyl-pent-2-ynyl)-7-[[(2E)-2-(2-aminothiazol-4-yl)-2-methyloximino-acetyl]amino]-8-keto-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C19H22N6O5S2 MolecularWeight: 478.54518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CCC1=C(N2C(CS1)C(C2=O)NC(=O)C(=NOC)C3=CSC(=N3)N)C(=O)O)N

Isomeric SMILES

CC(C)(C#CCC1=C(N2C(CS1)C(C2=O)NC(=O)/C(=N/OC)/C3=CSC(=N3)N)C(=O)O)N

InChI

InChI=1S/C19H22N6O5S2/c1-19(2,21)6-4-5-11-14(17(28)29)25-10(8-31-11)13(16(25)27)23-15(26)12(24-30-3)9-7-32-18(20)22-9/h7,10,13H,5,8,21H2,1-3H3,(H2,20,22)(H,23,26)(H,28,29)/b24-12+