chloromethyl 6-[2-(2-aminophenyl)ethanoylamino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: chloromethyl 6-[2-(2-aminophenyl)ethanoylamino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: chloromethyl 6-[[2-(2-aminophenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 6-[[2-(2-aminophenyl)-1-oxoethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid chloromethyl ester IUPAC Name: chloromethyl 6-[[2-(2-aminophenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 6-[[2-(2-aminophenyl)acetyl]amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid chloromethyl ester Formula: C17H20ClN3O4S MolecularWeight: 397.8764

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3N)C(=O)OCCl)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3N)C(=O)OCCl)C

InChI

InChI=1S/C17H20ClN3O4S/c1-17(2)13(16(24)25-8-18)21-14(23)12(15(21)26-17)20-11(22)7-9-5-3-4-6-10(9)19/h3-6,12-13,15H,7-8,19H2,1-2H3,(H,20,22)