3-aminocarbonyl-7-ethyl-4-methyl-7-[(E)-3-(methylazaniumyl)prop-1-enyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 3-aminocarbonyl-7-ethyl-4-methyl-7-[(E)-3-(methylazaniumyl)prop-1-enyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 3-carbamoyl-7-ethyl-4-methyl-7-[(E)-3-(methylammonio)prop-1-enyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-carbamoyl-7-ethyl-4-methyl-7-[(E)-3-(methylammonio)prop-1-enyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 3-carbamoyl-7-ethyl-4-methyl-7-[(E)-3-(methylazaniumyl)prop-1-enyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-carbamoyl-7-ethyl-8-keto-4-methyl-7-[(E)-3-(methylammonio)prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C15H21N3O4S MolecularWeight: 339.40994

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2N(C1=O)C(=C(C(S2)C)C(=O)N)C(=O)[O-])C=CC[NH2+]C

Isomeric SMILES

CCC1(C2N(C1=O)C(=C(C(S2)C)C(=O)N)C(=O)[O-])/C=C/C[NH2+]C

InChI

InChI=1S/C15H21N3O4S/c1-4-15(6-5-7-17-3)13(22)18-10(12(20)21)9(11(16)19)8(2)23-14(15)18/h5-6,8,14,17H,4,7H2,1-3H3,(H2,16,19)(H,20,21)/b6-5+