(4R,5S,6S)-3-[2-[(3,5-dimethyl-1,3,4-thiadiazol-2-ylidene)amino]-2-oxidanylidene-ethyl]sulfanyl-4-methyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: (4R,5S,6S)-3-[2-[(3,5-dimethyl-1,3,4-thiadiazol-2-ylidene)amino]-2-oxidanylidene-ethyl]sulfanyl-4-methyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: (4R,5S,6S)-3-[2-[(3,5-dimethyl-1,3,4-thiadiazol-2-ylidene)amino]-2-oxo-ethyl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: (4R,5S,6S)-3-[[2-[(3,5-dimethyl-1,3,4-thiadiazol-2-ylidene)amino]-2-oxoethyl]thio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: (4R,5S,6S)-3-[2-[(3,5-dimethyl-1,3,4-thiadiazol-2-ylidene)amino]-2-oxoethyl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: (4R,5S,6S)-3-[[2-[(3,5-dimethyl-1,3,4-thiadiazol-2-ylidene)amino]-2-keto-ethyl]thio]-6-[(1R)-1-hydroxyethyl]-7-keto-4-methyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C16H20N4O5S2 MolecularWeight: 412.4838

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1SCC(=O)N=C3N(N=C(S3)C)C)C(=O)O)C(C)O

Isomeric SMILES

C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1SCC(=O)N=C3N(N=C(S3)C)C)C(=O)O)[C@@H](C)O

InChI

InChI=1S/C16H20N4O5S2/c1-6-11-10(7(2)21)14(23)20(11)12(15(24)25)13(6)26-5-9(22)17-16-19(4)18-8(3)27-16/h6-7,10-11,21H,5H2,1-4H3,(H,24,25)/t6-,7-,10-,11-/m1/s1