3-[5-(azanylmethylideneamino)pentan-2-ylsulfanyl]-6-methoxy-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 3-[5-(azanylmethylideneamino)pentan-2-ylsulfanyl]-6-methoxy-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-[4-(aminomethyleneamino)-1-methyl-butyl]sulfanyl-6-methoxy-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-[5-(aminomethylideneamino)pentan-2-ylthio]-6-methoxy-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-[5-(aminomethylideneamino)pentan-2-ylsulfanyl]-6-methoxy-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-[[4-(aminomethyleneamino)-1-methyl-butyl]thio]-7-keto-6-methoxy-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C13H19N3O4S2 MolecularWeight: 345.43766

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCN=CN)SC1=C(N2C(S1)C(C2=O)OC)C(=O)O

Isomeric SMILES

CC(CCCN=CN)SC1=C(N2C(S1)C(C2=O)OC)C(=O)O

InChI

InChI=1S/C13H19N3O4S2/c1-7(4-3-5-15-6-14)21-13-8(12(18)19)16-10(17)9(20-2)11(16)22-13/h6-7,9,11H,3-5H2,1-2H3,(H2,14,15)(H,18,19)