ethyl (4R,5S)-5-methyl-4,5-dihydro-[1,3]thiazolo[2,3-d][1,5]benzothiazepin-11-ium-4-carboxylate

Systemtic Name: ethyl (4R,5S)-5-methyl-4,5-dihydro-[1,3]thiazolo[2,3-d][1,5]benzothiazepin-11-ium-4-carboxylate Openeye Name: ethyl (4R,5S)-5-methyl-4,5-dihydrothiazolo[2,3-d][1,5]benzothiazepin-11-ium-4-carboxylate CAS Name: (4R,5S)-5-methyl-4,5-dihydrothiazolo[2,3-d][1,5]benzothiazepin-11-ium-4-carboxylic acid ethyl ester IUPAC Name: ethyl (4R,5S)-5-methyl-4,5-dihydro-[1,3]thiazolo[2,3-d][1,5]benzothiazepin-11-ium-4-carboxylate Traditional Name: (4R,5S)-5-methyl-4,5-dihydrothiazolo[2,3-d][1,5]benzothiazepin-11-ium-4-carboxylic acid ethyl ester Formula: C15H16NO2S2+ MolecularWeight: 306.42304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(SC2=CC=CC=C2[N+]3=C1SC=C3)C

Isomeric SMILES

CCOC(=O)[C@@H]1[C@@H](SC2=CC=CC=C2[N+]3=C1SC=C3)C

InChI

InChI=1S/C15H16NO2S2/c1-3-18-15(17)13-10(2)20-12-7-5-4-6-11(12)16-8-9-19-14(13)16/h4-10,13H,3H2,1-2H3/q+1/t10-,13+/m0/s1