ethyl 2-[2-azanyl-3-(2-ethanoylsulfanyl-3-methyl-pentanoyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanoate

Systemtic Name: ethyl 2-[2-azanyl-3-(2-ethanoylsulfanyl-3-methyl-pentanoyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanoate Openeye Name: ethyl 2-[3-(2-acetylsulfanyl-3-methyl-pentanoyl)-2-amino-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetate CAS Name: 2-[3-[2-(acetylthio)-3-methyl-1-oxopentyl]-2-amino-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-(2-acetylsulfanyl-3-methylpentanoyl)-2-amino-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetate Traditional Name: 2-[3-[2-(acetylthio)-3-methyl-pentanoyl]-2-amino-4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid ethyl ester Formula: C21H28N2O5S2 MolecularWeight: 452.58742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)C1C(SC2=CC=CC=C2N(C1=O)CC(=O)OCC)N)SC(=O)C

Isomeric SMILES

CCC(C)C(C(=O)C1C(SC2=CC=CC=C2N(C1=O)CC(=O)OCC)N)SC(=O)C

InChI

InChI=1S/C21H28N2O5S2/c1-5-12(3)19(29-13(4)24)18(26)17-20(22)30-15-10-8-7-9-14(15)23(21(17)27)11-16(25)28-6-2/h7-10,12,17,19-20H,5-6,11,22H2,1-4H3