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

Systemtic Name: 7-[(2-azanyl-2-phenyl-ethanoyl)amino]-3-ethoxycarbonyl-7-methoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[(2-amino-2-phenyl-acetyl)amino]-3-ethoxycarbonyl-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[(2-amino-1-oxo-2-phenylethyl)amino]-3-ethoxycarbonyl-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[(2-amino-2-phenylacetyl)amino]-3-ethoxycarbonyl-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[(2-amino-2-phenyl-acetyl)amino]-3-carbethoxy-8-keto-7-methoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C19H21N3O7S MolecularWeight: 435.45094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O7S/c1-3-29-16(26)11-9-30-18-19(28-2,17(27)22(18)13(11)15(24)25)21-14(23)12(20)10-7-5-4-6-8-10/h4-8,12,18H,3,9,20H2,1-2H3,(H,21,23)(H,24,25)