3-[1-(1-azanylethylideneamino)-3-methylsulfanyl-propyl]-6-(1-hydroxyethyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 3-[1-(1-azanylethylideneamino)-3-methylsulfanyl-propyl]-6-(1-hydroxyethyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-[1-(1-aminoethylideneamino)-3-methylsulfanyl-propyl]-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-[1-(1-aminoethylideneamino)-3-(methylthio)propyl]-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-[1-(1-aminoethylideneamino)-3-methylsulfanylpropyl]-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-[1-(1-aminoethylideneamino)-3-(methylthio)propyl]-6-(1-hydroxyethyl)-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C14H21N3O4S2 MolecularWeight: 359.46424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2N(C1=O)C(=C(S2)C(CCSC)N=C(C)N)C(=O)O)O

Isomeric SMILES

CC(C1C2N(C1=O)C(=C(S2)C(CCSC)N=C(C)N)C(=O)O)O

InChI

InChI=1S/C14H21N3O4S2/c1-6(18)9-12(19)17-10(14(20)21)11(23-13(9)17)8(4-5-22-3)16-7(2)15/h6,8-9,13,18H,4-5H2,1-3H3,(H2,15,16)(H,20,21)