7-[2-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]thiophen-2-yl]ethanoylamino]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[2-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]thiophen-2-yl]ethanoylamino]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[2-[5-[(tert-butoxycarbonylamino)methyl]-2-thienyl]acetyl]amino]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[2-[5-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-2-thiophenyl]-1-oxoethyl]amino]-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[2-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]thiophen-2-yl]acetyl]amino]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[2-[5-[(tert-butoxycarbonylamino)methyl]-2-thienyl]acetyl]amino]-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C23H27N5O6S4 MolecularWeight: 597.75038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)CC4=CC=C(S4)CNC(=O)OC(C)(C)C)SC2)C(=O)O

Isomeric SMILES

CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)CC4=CC=C(S4)CNC(=O)OC(C)(C)C)SC2)C(=O)O

InChI

InChI=1S/C23H27N5O6S4/c1-11-26-27-22(37-11)36-10-12-9-35-19-16(18(30)28(19)17(12)20(31)32)25-15(29)7-13-5-6-14(38-13)8-24-21(33)34-23(2,3)4/h5-6,16,19H,7-10H2,1-4H3,(H,24,33)(H,25,29)(H,31,32)