3-[2-(1-azanylindol-2-yl)ethyl]-6-(1-hydroxyethyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: 3-[2-(1-azanylindol-2-yl)ethyl]-6-(1-hydroxyethyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: 3-[2-(1-aminoindol-2-yl)ethyl]-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 3-[2-(1-amino-2-indolyl)ethyl]-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: 3-[2-(1-aminoindol-2-yl)ethyl]-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 3-[2-(1-aminoindol-2-yl)ethyl]-6-(1-hydroxyethyl)-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C18H18N3O4S- MolecularWeight: 372.41822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2N(C1=O)C(=C(S2)CCC3=CC4=CC=CC=C4N3N)C(=O)[O-])O

Isomeric SMILES

CC(C1C2N(C1=O)C(=C(S2)CCC3=CC4=CC=CC=C4N3N)C(=O)[O-])O

InChI

InChI=1S/C18H19N3O4S/c1-9(22)14-16(23)20-15(18(24)25)13(26-17(14)20)7-6-11-8-10-4-2-3-5-12(10)21(11)19/h2-5,8-9,14,17,22H,6-7,19H2,1H3,(H,24,25)/p-1