7-[2-[4-[aminomethyl(carboxy)amino]phenyl]ethanoylamino]-8-oxidanylidene-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[2-[4-[aminomethyl(carboxy)amino]phenyl]ethanoylamino]-8-oxidanylidene-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[2-[4-[aminomethyl(carboxy)amino]phenyl]acetyl]amino]-8-oxo-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[2-[4-[aminomethyl(carboxy)amino]phenyl]-1-oxoethyl]amino]-8-oxo-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[2-[4-[aminomethyl(carboxy)amino]phenyl]acetyl]amino]-8-oxo-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[2-[4-[aminomethyl(carboxy)amino]phenyl]acetyl]amino]-8-keto-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C17H18N4O6S MolecularWeight: 406.41302

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(C(=O)N2C(=CS1)C(=O)O)NC(=O)CC3=CC=C(C=C3)N(CN)C(=O)O

Isomeric SMILES

C1C2C(C(=O)N2C(=CS1)C(=O)O)NC(=O)CC3=CC=C(C=C3)N(CN)C(=O)O

InChI

InChI=1S/C17H18N4O6S/c18-8-20(17(26)27)10-3-1-9(2-4-10)5-13(22)19-14-11-6-28-7-12(16(24)25)21(11)15(14)23/h1-4,7,11,14H,5-6,8,18H2,(H,19,22)(H,24,25)(H,26,27)