[7-[2-[bis(azanyl)methylideneamino]ethylsulfanyl]imidazo[5,1-b][1,3]thiazol-2-yl] 6-(1-hydroxyethyl)-4-methyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: [7-[2-[bis(azanyl)methylideneamino]ethylsulfanyl]imidazo[5,1-b][1,3]thiazol-2-yl] 6-(1-hydroxyethyl)-4-methyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: [7-(2-guanidinoethylsulfanyl)imidazo[5,1-b]thiazol-2-yl] 6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid [7-[2-(diaminomethylideneamino)ethylthio]-2-imidazo[5,1-b]thiazolyl] ester IUPAC Name: [7-[2-(diaminomethylideneamino)ethylsulfanyl]imidazo[5,1-b][1,3]thiazol-2-yl] 6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 6-(1-hydroxyethyl)-7-keto-4-methyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid [7-(2-guanidinoethylthio)imidazo[5,1-b]thiazol-2-yl] ester Formula: C18H22N6O4S2 MolecularWeight: 450.53508

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(N2C1C(C2=O)C(C)O)C(=O)OC3=CN4C=NC(=C4S3)SCCN=C(N)N

Isomeric SMILES

CC1C=C(N2C1C(C2=O)C(C)O)C(=O)OC3=CN4C=NC(=C4S3)SCCN=C(N)N

InChI

InChI=1S/C18H22N6O4S2/c1-8-5-10(24-13(8)12(9(2)25)15(24)26)17(27)28-11-6-23-7-22-14(16(23)30-11)29-4-3-21-18(19)20/h5-9,12-13,25H,3-4H2,1-2H3,(H4,19,20,21)