7-[[(2Z)-2-methoxyimino-2-(2-methyl-1,3-thiazol-4-yl)ethanoyl]amino]-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[(2Z)-2-methoxyimino-2-(2-methyl-1,3-thiazol-4-yl)ethanoyl]amino]-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[(2Z)-2-methoxyimino-2-(2-methylthiazol-4-yl)acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2Z)-2-methoxyimino-2-(2-methyl-4-thiazolyl)-1-oxoethyl]amino]-3-[[(1-methyl-5-tetrazolyl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[(2Z)-2-methoxyimino-2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-7-[[(2Z)-2-methyloximino-2-(2-methylthiazol-4-yl)acetyl]amino]-3-[[(1-methyltetrazol-5-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C17H18N8O5S3 MolecularWeight: 510.57042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C(=NOC)C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=NN4C)C(=O)O

Isomeric SMILES

CC1=NC(=CS1)/C(=N/OC)/C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=NN4C)C(=O)O

InChI

InChI=1S/C17H18N8O5S3/c1-7-18-9(6-31-7)10(21-30-3)13(26)19-11-14(27)25-12(16(28)29)8(4-32-15(11)25)5-33-17-20-22-23-24(17)2/h6,11,15H,4-5H2,1-3H3,(H,19,26)(H,28,29)/b21-10-