7-(2-azanylethanoylamino)-3-methyl-8-oxidanylidene-7-phenyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-(2-azanylethanoylamino)-3-methyl-8-oxidanylidene-7-phenyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[(2-aminoacetyl)amino]-3-methyl-8-oxo-7-phenyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[(2-amino-1-oxoethyl)amino]-3-methyl-8-oxo-7-phenyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[(2-aminoacetyl)amino]-3-methyl-8-oxo-7-phenyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-(glycylamino)-8-keto-3-methyl-7-phenyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C16H17N3O4S MolecularWeight: 347.38888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)(C3=CC=CC=C3)NC(=O)CN)SC1)C(=O)O

Isomeric SMILES

CC1=C(N2C(C(C2=O)(C3=CC=CC=C3)NC(=O)CN)SC1)C(=O)O

InChI

InChI=1S/C16H17N3O4S/c1-9-8-24-15-16(18-11(20)7-17,10-5-3-2-4-6-10)14(23)19(15)12(9)13(21)22/h2-6,15H,7-8,17H2,1H3,(H,18,20)(H,21,22)