3-(1-azanylethylsulfanyl)-7-oxidanylidene-6-(2-phenylethanoylamino)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 3-(1-azanylethylsulfanyl)-7-oxidanylidene-6-(2-phenylethanoylamino)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-(1-aminoethylsulfanyl)-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-(1-aminoethylthio)-7-oxo-6-[(1-oxo-2-phenylethyl)amino]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-(1-aminoethylsulfanyl)-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-(1-aminoethylthio)-7-keto-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C16H17N3O4S2 MolecularWeight: 379.45388

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Descriptors Computed from Structure

Canonical SMILES:

CC(N)SC1=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(N)SC1=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C16H17N3O4S2/c1-8(17)24-16-12(15(22)23)19-13(21)11(14(19)25-16)18-10(20)7-9-5-3-2-4-6-9/h2-6,8,11,14H,7,17H2,1H3,(H,18,20)(H,22,23)