6-(1-hydroxyethyl)-4-methyl-3-(4-methylpiperazin-1-yl)carbothioylsulfanyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: 6-(1-hydroxyethyl)-4-methyl-3-(4-methylpiperazin-1-yl)carbothioylsulfanyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: 6-(1-hydroxyethyl)-4-methyl-3-(4-methylpiperazine-1-carbothioyl)sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 6-(1-hydroxyethyl)-4-methyl-3-[[(4-methyl-1-piperazinyl)-sulfanylidenemethyl]thio]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: 6-(1-hydroxyethyl)-4-methyl-3-(4-methylpiperazine-1-carbothioyl)sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 6-(1-hydroxyethyl)-7-keto-4-methyl-3-[(4-methylpiperazine-1-carbothioyl)thio]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C16H22N3O4S2- MolecularWeight: 384.49358

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1SC(=S)N3CCN(CC3)C)C(=O)[O-])C(C)O

Isomeric SMILES

CC1C2C(C(=O)N2C(=C1SC(=S)N3CCN(CC3)C)C(=O)[O-])C(C)O

InChI

InChI=1S/C16H23N3O4S2/c1-8-11-10(9(2)20)14(21)19(11)12(15(22)23)13(8)25-16(24)18-6-4-17(3)5-7-18/h8-11,20H,4-7H2,1-3H3,(H,22,23)/p-1