7-azanyl-3-[4-(cyanoamino)-2-iodanyl-phenyl]sulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 7-azanyl-3-[4-(cyanoamino)-2-iodanyl-phenyl]sulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 7-amino-3-[4-(cyanoamino)-2-iodo-phenyl]sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-amino-3-[[4-(cyanoamino)-2-iodophenyl]thio]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 7-amino-3-[4-(cyanoamino)-2-iodophenyl]sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-amino-3-[[4-(cyanoamino)-2-iodo-phenyl]thio]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C14H10IN4O3S2- MolecularWeight: 473.28867

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)N)C(=O)[O-])SC3=C(C=C(C=C3)NC#N)I

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)N)C(=O)[O-])SC3=C(C=C(C=C3)NC#N)I

InChI

InChI=1S/C14H11IN4O3S2/c15-7-3-6(18-5-16)1-2-8(7)24-9-4-23-13-10(17)12(20)19(13)11(9)14(21)22/h1-3,10,13,18H,4,17H2,(H,21,22)/p-1