2,2,2-tris(chloranyl)ethyl (2R)-3-methyl-2-[(1R,5R)-7-oxidanylidene-3-(phenoxymethyl)-4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-6-yl]but-3-enoate

Systemtic Name: 2,2,2-tris(chloranyl)ethyl (2R)-3-methyl-2-[(1R,5R)-7-oxidanylidene-3-(phenoxymethyl)-4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-6-yl]but-3-enoate Openeye Name: 2,2,2-trichloroethyl (2R)-3-methyl-2-[(1R,5R)-7-oxo-3-(phenoxymethyl)-4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-6-yl]but-3-enoate CAS Name: (2R)-3-methyl-2-[(1R,5R)-7-oxo-3-(phenoxymethyl)-4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-6-yl]-3-butenoic acid 2,2,2-trichloroethyl ester IUPAC Name: 2,2,2-trichloroethyl (2R)-3-methyl-2-[(1R,5R)-7-oxo-3-(phenoxymethyl)-4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-6-yl]but-3-enoate Traditional Name: (2R)-2-[(1R,5R)-7-keto-3-(phenoxymethyl)-4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-6-yl]-3-methyl-but-3-enoic acid 2,2,2-trichloroethyl ester Formula: C18H17Cl3N2O4S MolecularWeight: 463.76258

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(C(=O)OCC(Cl)(Cl)Cl)N1C2C(C1=O)N=C(S2)COC3=CC=CC=C3

Isomeric SMILES

CC(=C)[C@H](C(=O)OCC(Cl)(Cl)Cl)N1[C@H]2[C@@H](C1=O)N=C(S2)COC3=CC=CC=C3

InChI

InChI=1S/C18H17Cl3N2O4S/c1-10(2)14(17(25)27-9-18(19,20)21)23-15(24)13-16(23)28-12(22-13)8-26-11-6-4-3-5-7-11/h3-7,13-14,16H,1,8-9H2,2H3/t13-,14-,16-/m1/s1