2,2,2-tris(chloranyl)ethyl 7-[2-(2-aminophenyl)ethanoylamino]-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 2,2,2-tris(chloranyl)ethyl 7-[2-(2-aminophenyl)ethanoylamino]-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 2,2,2-trichloroethyl 7-[[2-(2-aminophenyl)acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[[2-(2-aminophenyl)-1-oxoethyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 2,2,2-trichloroethyl ester IUPAC Name: 2,2,2-trichloroethyl 7-[[2-(2-aminophenyl)acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[[2-(2-aminophenyl)acetyl]amino]-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 2,2,2-trichloroethyl ester Formula: C18H18Cl3N3O4S MolecularWeight: 478.77722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CC=C3N)SC1)C(=O)OCC(Cl)(Cl)Cl

Isomeric SMILES

CC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CC=C3N)SC1)C(=O)OCC(Cl)(Cl)Cl

InChI

InChI=1S/C18H18Cl3N3O4S/c1-9-7-29-16-13(23-12(25)6-10-4-2-3-5-11(10)22)15(26)24(16)14(9)17(27)28-8-18(19,20)21/h2-5,13,16H,6-8,22H2,1H3,(H,23,25)