6-ethoxycarbonyl-3,3-dimethyl-7-oxidanylidene-6-(2-phenylsulfanylethanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: 6-ethoxycarbonyl-3,3-dimethyl-7-oxidanylidene-6-(2-phenylsulfanylethanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 6-ethoxycarbonyl-3,3-dimethyl-7-oxo-6-[(2-phenylsulfanylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 6-ethoxycarbonyl-3,3-dimethyl-7-oxo-6-[[1-oxo-2-(phenylthio)ethyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 6-ethoxycarbonyl-3,3-dimethyl-7-oxo-6-[(2-phenylsulfanylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 6-carbethoxy-7-keto-3,3-dimethyl-6-[[2-(phenylthio)acetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C19H22N2O6S2 MolecularWeight: 438.51778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C2N(C1=O)C(C(S2)(C)C)C(=O)O)NC(=O)CSC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(C2N(C1=O)C(C(S2)(C)C)C(=O)O)NC(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C19H22N2O6S2/c1-4-27-17(26)19(20-12(22)10-28-11-8-6-5-7-9-11)15(25)21-13(14(23)24)18(2,3)29-16(19)21/h5-9,13,16H,4,10H2,1-3H3,(H,20,22)(H,23,24)