[7-(3-azanylpropylsulfanyl)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-(3-azanylpropylsulfanyl)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-(3-aminopropylsulfanyl)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-(3-aminopropylthio)-2-imidazo[5,1-b]thiazolyl] ester IUPAC Name: [7-(3-aminopropylsulfanyl)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-(3-aminopropylthio)imidazo[5,1-b]thiazol-2-yl] ester Formula: C18H22N4O4S2 MolecularWeight: 422.52168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O4S2/c1-9-6-11(22-14(9)13(10(2)23)16(22)24)18(25)26-12-7-21-8-20-15(17(21)28-12)27-5-3-4-19/h6-10,13-14,23H,3-5,19H2,1-2H3