(6S)-7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-(carboxymethyloxyimino)ethanoyl]amino]-3-[(E)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: (6S)-7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-(carboxymethyloxyimino)ethanoyl]amino]-3-[(E)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (6S)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-(carboxymethyloxyimino)acetyl]amino]-3-[(E)-2-(4-methylthiazol-5-yl)vinyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (6S)-7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-(carboxymethyloxyimino)-1-oxoethyl]amino]-3-[(E)-2-(4-methyl-5-thiazolyl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (6S)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(carboxymethyloxyimino)acetyl]amino]-3-[(E)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (6S)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-(carboxymethyloximino)acetyl]amino]-8-keto-3-[(E)-2-(4-methylthiazol-5-yl)vinyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C20H18N6O7S3 MolecularWeight: 550.58792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=N1)C=CC2=C(N3C(C(C3=O)NC(=O)C(=NOCC(=O)O)C4=CSC(=N4)N)SC2)C(=O)O

Isomeric SMILES

CC1=C(SC=N1)/C=C/C2=C(N3[C@H](C(C3=O)NC(=O)/C(=N\OCC(=O)O)/C4=CSC(=N4)N)SC2)C(=O)O

InChI

InChI=1S/C20H18N6O7S3/c1-8-11(36-7-22-8)3-2-9-5-34-18-14(17(30)26(18)15(9)19(31)32)24-16(29)13(25-33-4-12(27)28)10-6-35-20(21)23-10/h2-3,6-7,14,18H,4-5H2,1H3,(H2,21,23)(H,24,29)(H,27,28)(H,31,32)/b3-2+,25-13-/t14?,18-/m0/s1