N-[7-azanyl-2-(diphenylmethyl)-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]methanamide

Systemtic Name: N-[7-azanyl-2-(diphenylmethyl)-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]methanamide Openeye Name: N-(7-amino-2-benzhydryl-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl)formamide CAS Name: N-[7-amino-2-(diphenylmethyl)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]formamide IUPAC Name: N-(7-amino-2-benzhydryl-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl)formamide Traditional Name: N-(7-amino-2-benzhydryl-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl)formamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)(N)NC=O)SC1)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(N2C(C(C2=O)(N)NC=O)SC1)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O2S/c1-14-12-27-20-21(22,23-13-25)19(26)24(20)18(14)17(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,13,17,20H,12,22H2,1H3,(H,23,25)