ethyl 5-azanyl-1-oxidanylidene-6H-[1,3]thiazolo[3,2-a][1,5]benzodiazepin-11-ium-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-oxidanylidene-6H-[1,3]thiazolo[3,2-a][1,5]benzodiazepin-11-ium-4-carboxylate Openeye Name: ethyl 5-amino-1-oxo-6H-thiazolo[3,2-a][1,5]benzodiazepin-11-ium-4-carboxylate CAS Name: 5-amino-1-oxo-6H-thiazolo[3,2-a][1,5]benzodiazepin-11-ium-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-oxo-6H-[1,3]thiazolo[3,2-a][1,5]benzodiazepin-11-ium-4-carboxylate Traditional Name: 5-amino-1-keto-6H-thiazolo[3,2-a][1,5]benzodiazepin-11-ium-4-carboxylic acid ethyl ester Formula: C14H14N3O3S+ MolecularWeight: 304.34426

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=CC=CC=C2[N+]3=C1SCC3=O)N

Isomeric SMILES

CCOC(=O)C1=C(NC2=CC=CC=C2[N+]3=C1SCC3=O)N

InChI

InChI=1S/C14H13N3O3S/c1-2-20-14(19)11-12(15)16-8-5-3-4-6-9(8)17-10(18)7-21-13(11)17/h3-6H,2,7H2,1H3,(H2,15,16)/p+1