7-azanyl-3-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfanyl]pyrazin-2-yl]sulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-azanyl-3-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfanyl]pyrazin-2-yl]sulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-amino-3-[3-[2-(tert-butoxycarbonylamino)ethylsulfanyl]pyrazin-2-yl]sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-amino-3-[[3-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethylthio]-2-pyrazinyl]thio]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-amino-3-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfanyl]pyrazin-2-yl]sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-amino-3-[[3-[2-(tert-butoxycarbonylamino)ethylthio]pyrazin-2-yl]thio]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C18H23N5O5S3 MolecularWeight: 485.60072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCSC1=NC=CN=C1SC2=C(N3C(C(C3=O)N)SC2)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NCCSC1=NC=CN=C1SC2=C(N3C(C(C3=O)N)SC2)C(=O)O

InChI

InChI=1S/C18H23N5O5S3/c1-18(2,3)28-17(27)22-6-7-29-12-13(21-5-4-20-12)31-9-8-30-15-10(19)14(24)23(15)11(9)16(25)26/h4-5,10,15H,6-8,19H2,1-3H3,(H,22,27)(H,25,26)