methanethiol; 8-oxidanylidene-7-(2-phenoxyethanoylamino)-3-phenyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: methanethiol; 8-oxidanylidene-7-(2-phenoxyethanoylamino)-3-phenyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: methanethiol; 8-oxo-7-[(2-phenoxyacetyl)amino]-3-phenyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: methanethiol; 8-oxo-7-[(1-oxo-2-phenoxyethyl)amino]-3-phenyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: methanethiol; 8-oxo-7-[(2-phenoxyacetyl)amino]-3-phenyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-7-[(2-phenoxyacetyl)amino]-3-phenyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; methanethiol Formula: C22H22N2O5S2 MolecularWeight: 458.55048

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Descriptors Computed from Structure

Canonical SMILES:

CS.C1C(=C(N2C(S1)C(C2=O)NC(=O)COC3=CC=CC=C3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CS.C1C(=C(N2C(S1)C(C2=O)NC(=O)COC3=CC=CC=C3)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C21H18N2O5S.CH4S/c24-16(11-28-14-9-5-2-6-10-14)22-17-19(25)23-18(21(26)27)15(12-29-20(17)23)13-7-3-1-4-8-13;1-2/h1-10,17,20H,11-12H2,(H,22,24)(H,26,27);2H,1H3