2-iodanylethyl (6S)-7-[(2-methanoyloxy-2-phenyl-ethanoyl)amino]-3-methylidene-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate

Systemtic Name: 2-iodanylethyl (6S)-7-[(2-methanoyloxy-2-phenyl-ethanoyl)amino]-3-methylidene-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Openeye Name: 2-iodoethyl (6S)-7-[(2-formyloxy-2-phenyl-acetyl)amino]-3-methylene-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate CAS Name: (6S)-7-[(2-formyloxy-1-oxo-2-phenylethyl)amino]-3-methylene-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid 2-iodoethyl ester IUPAC Name: 2-iodoethyl (6S)-7-[(2-formyloxy-2-phenylacetyl)amino]-3-methylidene-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Traditional Name: (6S)-7-[(2-formyloxy-2-phenyl-acetyl)amino]-8-keto-3-methylene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid 2-iodoethyl ester Formula: C19H19IN2O6S MolecularWeight: 530.33343

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Descriptors Computed from Structure

Canonical SMILES:

C=C1CSC2C(C(=O)N2C1C(=O)OCCI)NC(=O)C(C3=CC=CC=C3)OC=O

Isomeric SMILES

C=C1CS[C@H]2C(C(=O)N2C1C(=O)OCCI)NC(=O)C(C3=CC=CC=C3)OC=O

InChI

InChI=1S/C19H19IN2O6S/c1-11-9-29-18-13(17(25)22(18)14(11)19(26)27-8-7-20)21-16(24)15(28-10-23)12-5-3-2-4-6-12/h2-6,10,13-15,18H,1,7-9H2,(H,21,24)/t13?,14?,15?,18-/m0/s1