7-[(2-butylsulfanylcarbothioyloxy-2-phenyl-ethanoyl)amino]-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[(2-butylsulfanylcarbothioyloxy-2-phenyl-ethanoyl)amino]-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[(2-butylsulfanylcarbothioyloxy-2-phenyl-acetyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[2-[(butylthio)-sulfanylidenemethoxy]-1-oxo-2-phenylethyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[(2-butylsulfanylcarbothioyloxy-2-phenylacetyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[2-(butylthio)carbothioyloxy-2-phenyl-acetyl]amino]-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C21H24N2O5S3 MolecularWeight: 480.62066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC(=S)OC(C1=CC=CC=C1)C(=O)NC2C3N(C2=O)C(=C(CS3)C)C(=O)O

Isomeric SMILES

CCCCSC(=S)OC(C1=CC=CC=C1)C(=O)NC2C3N(C2=O)C(=C(CS3)C)C(=O)O

InChI

InChI=1S/C21H24N2O5S3/c1-3-4-10-30-21(29)28-16(13-8-6-5-7-9-13)17(24)22-14-18(25)23-15(20(26)27)12(2)11-31-19(14)23/h5-9,14,16,19H,3-4,10-11H2,1-2H3,(H,22,24)(H,26,27)