7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-(1-carboxycyclobutyl)oxyimino-ethanoyl]amino]-3-[1-(ethylamino)ethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-(1-carboxycyclobutyl)oxyimino-ethanoyl]amino]-3-[1-(ethylamino)ethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-(1-carboxycyclobutoxy)imino-acetyl]amino]-3-[1-(ethylamino)ethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2E)-2-(2-amino-4-thiazolyl)-2-(1-carboxycyclobutyl)oxyimino-1-oxoethyl]amino]-3-[1-(ethylamino)ethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(1-carboxycyclobutyl)oxyiminoacetyl]amino]-3-[1-(ethylamino)ethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-(1-carboxycyclobutyl)oximino-acetyl]amino]-3-[1-(ethylamino)ethyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C21H26N6O7S2 MolecularWeight: 538.59714

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(C)C1=C(N2C(C(C2=O)NC(=O)C(=NOC3(CCC3)C(=O)O)C4=CSC(=N4)N)SC1)C(=O)O

Isomeric SMILES

CCNC(C)C1=C(N2C(C(C2=O)NC(=O)/C(=N/OC3(CCC3)C(=O)O)/C4=CSC(=N4)N)SC1)C(=O)O

InChI

InChI=1S/C21H26N6O7S2/c1-3-23-9(2)10-7-35-17-13(16(29)27(17)14(10)18(30)31)25-15(28)12(11-8-36-20(22)24-11)26-34-21(19(32)33)5-4-6-21/h8-9,13,17,23H,3-7H2,1-2H3,(H2,22,24)(H,25,28)(H,30,31)(H,32,33)/b26-12+