[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanoate

Systemtic Name: [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanoate Openeye Name: [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxo-ethyl] 2-[2-(2-thienyl)thiazol-4-yl]acetate CAS Name: 2-(2-thiophen-2-yl-4-thiazolyl)acetic acid [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate Traditional Name: 2-[2-(2-thienyl)thiazol-4-yl]acetic acid [2-keto-2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethyl] ester Formula: C21H20N2O3S3 MolecularWeight: 444.5901

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)COC(=O)CC3=CSC(=N3)C4=CC=CS4

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)COC(=O)CC3=CSC(=N3)C4=CC=CS4

InChI

InChI=1S/C21H20N2O3S3/c1-14-8-9-23(16-5-2-3-6-17(16)29-14)19(24)12-26-20(25)11-15-13-28-21(22-15)18-7-4-10-27-18/h2-7,10,13-14H,8-9,11-12H2,1H3