2-methylbut-3-en-2-yl 7-azanyl-3-(2-methylpropanoyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 2-methylbut-3-en-2-yl 7-azanyl-3-(2-methylpropanoyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 1,1-dimethylallyl 7-amino-3-(2-methylpropanoyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-amino-3-(2-methyl-1-oxopropyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 2-methylbut-3-en-2-yl ester IUPAC Name: 2-methylbut-3-en-2-yl 7-amino-3-(2-methylpropanoyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-amino-3-isobutyryl-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 1,1-dimethylallyl ester Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C1=C(N2C(C(C2=O)N)SC1)C(=O)OC(C)(C)C=C

Isomeric SMILES

CC(C)C(=O)C1=C(N2C(C(C2=O)N)SC1)C(=O)OC(C)(C)C=C

InChI

InChI=1S/C16H22N2O4S/c1-6-16(4,5)22-15(21)11-9(12(19)8(2)3)7-23-14-10(17)13(20)18(11)14/h6,8,10,14H,1,7,17H2,2-5H3