7-[[5-[(3,5-dimethylphenoxy)methyl]furan-2-yl]carbonylamino]-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-[[5-[(3,5-dimethylphenoxy)methyl]furan-2-yl]carbonylamino]-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-[[5-[(3,5-dimethylphenoxy)methyl]furan-2-carbonyl]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-[[[5-[(3,5-dimethylphenoxy)methyl]-2-furanyl]-oxomethyl]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-[[5-[(3,5-dimethylphenoxy)methyl]furan-2-carbonyl]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-[[5-[(3,5-dimethylphenoxy)methyl]-2-furoyl]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: C25H24N4O6S3 MolecularWeight: 572.67626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC2=CC=C(O2)C(=O)NC3C4N(C3=O)C(=C(CS4)CSC5=NN=C(S5)C)C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC2=CC=C(O2)C(=O)NC3C4N(C3=O)C(=C(CS4)CSC5=NN=C(S5)C)C(=O)O)C

InChI

InChI=1S/C25H24N4O6S3/c1-12-6-13(2)8-17(7-12)34-9-16-4-5-18(35-16)21(30)26-19-22(31)29-20(24(32)33)15(10-36-23(19)29)11-37-25-28-27-14(3)38-25/h4-8,19,23H,9-11H2,1-3H3,(H,26,30)(H,32,33)