3-[[5-(2-azanyl-2-oxidanylidene-ethyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-[2-(2-azanyl-1,3-thiazol-4-yl)ethanoylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-[[5-(2-azanyl-2-oxidanylidene-ethyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-[2-(2-azanyl-1,3-thiazol-4-yl)ethanoylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-[[5-(2-amino-2-oxo-ethyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-[[2-(2-aminothiazol-4-yl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[[[5-(2-amino-2-oxoethyl)-1,3,4-thiadiazol-2-yl]thio]methyl]-7-[[2-(2-amino-4-thiazolyl)-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-[[5-(2-amino-2-oxoethyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-[[[5-(2-amino-2-keto-ethyl)-1,3,4-thiadiazol-2-yl]thio]methyl]-7-[[2-(2-aminothiazol-4-yl)acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C17H17N7O5S4 MolecularWeight: 527.62078

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CSC(=N3)N)C(=O)O)CSC4=NN=C(S4)CC(=O)N

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CSC(=N3)N)C(=O)O)CSC4=NN=C(S4)CC(=O)N

InChI

InChI=1S/C17H17N7O5S4/c18-8(25)2-10-22-23-17(33-10)32-4-6-3-30-14-11(13(27)24(14)12(6)15(28)29)21-9(26)1-7-5-31-16(19)20-7/h5,11,14H,1-4H2,(H2,18,25)(H2,19,20)(H,21,26)(H,28,29)