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

Systemtic Name: 7-[(2-azanyl-2-naphthalen-2-yl-ethanoyl)amino]-3-ethenyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[2-amino-2-(2-naphthyl)acetyl]amino]-8-oxo-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[2-amino-2-(2-naphthalenyl)-1-oxoethyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[(2-amino-2-naphthalen-2-ylacetyl)amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[2-amino-2-(2-naphthyl)acetyl]amino]-8-keto-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC4=CC=CC=C4C=C3)N)SC1)C(=O)O

Isomeric SMILES

C=CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC4=CC=CC=C4C=C3)N)SC1)C(=O)O

InChI

InChI=1S/C21H19N3O4S/c1-2-11-10-29-20-16(19(26)24(20)17(11)21(27)28)23-18(25)15(22)14-8-7-12-5-3-4-6-13(12)9-14/h2-9,15-16,20H,1,10,22H2,(H,23,25)(H,27,28)