7-[(2-azanyl-2-thiophen-2-yl-ethanoyl)amino]-7-methoxy-8-oxidanylidene-3-pentanoyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[(2-azanyl-2-thiophen-2-yl-ethanoyl)amino]-7-methoxy-8-oxidanylidene-3-pentanoyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[2-amino-2-(2-thienyl)acetyl]amino]-7-methoxy-8-oxo-3-pentanoyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[(2-amino-1-oxo-2-thiophen-2-ylethyl)amino]-7-methoxy-8-oxo-3-(1-oxopentyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[(2-amino-2-thiophen-2-ylacetyl)amino]-7-methoxy-8-oxo-3-pentanoyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[2-amino-2-(2-thienyl)acetyl]amino]-8-keto-7-methoxy-3-valeryl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C19H23N3O6S2 MolecularWeight: 453.53242

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=C(N2C(C(C2=O)(NC(=O)C(C3=CC=CS3)N)OC)SC1)C(=O)O

Isomeric SMILES

CCCCC(=O)C1=C(N2C(C(C2=O)(NC(=O)C(C3=CC=CS3)N)OC)SC1)C(=O)O

InChI

InChI=1S/C19H23N3O6S2/c1-3-4-6-11(23)10-9-30-18-19(28-2,17(27)22(18)14(10)16(25)26)21-15(24)13(20)12-7-5-8-29-12/h5,7-8,13,18H,3-4,6,9,20H2,1-2H3,(H,21,24)(H,25,26)