6-bromanyl-6-[1H-indol-2-yl(oxidanyl)methyl]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonitrile

Systemtic Name: 6-bromanyl-6-[1H-indol-2-yl(oxidanyl)methyl]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonitrile Openeye Name: 6-bromo-6-[hydroxy(1H-indol-2-yl)methyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonitrile CAS Name: 6-bromo-6-[hydroxy(1H-indol-2-yl)methyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonitrile IUPAC Name: 6-bromo-6-[hydroxy(1H-indol-2-yl)methyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonitrile Traditional Name: 6-bromo-6-[hydroxy(1H-indol-2-yl)methyl]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonitrile Formula: C17H16BrN3O2S MolecularWeight: 406.29684

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)(C(C3=CC4=CC=CC=C4N3)O)Br)C#N)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)(C(C3=CC4=CC=CC=C4N3)O)Br)C#N)C

InChI

InChI=1S/C17H16BrN3O2S/c1-16(2)12(8-19)21-14(23)17(18,15(21)24-16)13(22)11-7-9-5-3-4-6-10(9)20-11/h3-7,12-13,15,20,22H,1-2H3