7-oxidanylidene-3-(4-oxidanylidene-4-phenylazanyl-butyl)sulfanyl-6-(1-oxidanylpropyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 7-oxidanylidene-3-(4-oxidanylidene-4-phenylazanyl-butyl)sulfanyl-6-(1-oxidanylpropyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-(4-anilino-4-oxo-butyl)sulfanyl-6-(1-hydroxypropyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-[(4-anilino-4-oxobutyl)thio]-6-(1-hydroxypropyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-(4-anilino-4-oxobutyl)sulfanyl-6-(1-hydroxypropyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-[(4-anilino-4-keto-butyl)thio]-6-(1-hydroxypropyl)-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C19H22N2O5S2 MolecularWeight: 422.51838

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1C2N(C1=O)C(=C(S2)SCCCC(=O)NC3=CC=CC=C3)C(=O)O)O

Isomeric SMILES

CCC(C1C2N(C1=O)C(=C(S2)SCCCC(=O)NC3=CC=CC=C3)C(=O)O)O

InChI

InChI=1S/C19H22N2O5S2/c1-2-12(22)14-16(24)21-15(18(25)26)19(28-17(14)21)27-10-6-9-13(23)20-11-7-4-3-5-8-11/h3-5,7-8,12,14,17,22H,2,6,9-10H2,1H3,(H,20,23)(H,25,26)