7-[[(E)-2-(2-azanyl-1,3-thiazol-4-yl)-3-cyclohexyl-prop-2-enoyl]amino]-3-[7-(chloromethyl)-9-oxidanylidene-fluoren-3-yl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[(E)-2-(2-azanyl-1,3-thiazol-4-yl)-3-cyclohexyl-prop-2-enoyl]amino]-3-[7-(chloromethyl)-9-oxidanylidene-fluoren-3-yl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[(E)-2-(2-aminothiazol-4-yl)-3-cyclohexyl-prop-2-enoyl]amino]-3-[7-(chloromethyl)-9-oxo-fluoren-3-yl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(E)-2-(2-amino-4-thiazolyl)-3-cyclohexyl-1-oxoprop-2-enyl]amino]-3-[7-(chloromethyl)-9-oxo-3-fluorenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[(E)-2-(2-amino-1,3-thiazol-4-yl)-3-cyclohexylprop-2-enoyl]amino]-3-[7-(chloromethyl)-9-oxofluoren-3-yl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[(E)-2-(2-aminothiazol-4-yl)-3-cyclohexyl-acryloyl]amino]-3-[7-(chloromethyl)-9-keto-fluoren-3-yl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C33H29ClN4O5S2 MolecularWeight: 661.19016

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C=C(C2=CSC(=N2)N)C(=O)NC3C4N(C3=O)C(=C(CS4)C5=CC6=C(C=C5)C(=O)C7=C6C=CC(=C7)CCl)C(=O)O

Isomeric SMILES

C1CCC(CC1)/C=C(\C2=CSC(=N2)N)/C(=O)NC3C4N(C3=O)C(=C(CS4)C5=CC6=C(C=C5)C(=O)C7=C6C=CC(=C7)CCl)C(=O)O

InChI

InChI=1S/C33H29ClN4O5S2/c34-13-17-6-8-19-21-12-18(7-9-20(21)28(39)22(19)11-17)24-14-44-31-26(30(41)38(31)27(24)32(42)43)37-29(40)23(25-15-45-33(35)36-25)10-16-4-2-1-3-5-16/h6-12,15-16,26,31H,1-5,13-14H2,(H2,35,36)(H,37,40)(H,42,43)/b23-10+