methyl 7-azanyl-3-[(E)-but-1-enyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: methyl 7-azanyl-3-[(E)-but-1-enyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: methyl 7-amino-3-[(E)-but-1-enyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-amino-3-[(E)-but-1-enyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid methyl ester IUPAC Name: methyl 7-amino-3-[(E)-but-1-enyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-amino-3-[(E)-but-1-enyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid methyl ester Formula: C12H16N2O3S MolecularWeight: 268.33204

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CC1=C(N2C(C(C2=O)N)SC1)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O3S/c1-3-4-5-7-6-18-11-8(13)10(15)14(11)9(7)12(16)17-2/h4-5,8,11H,3,6,13H2,1-2H3/b5-4+