[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl] 3-(2-oxidanylidene-1,3-thiazolidin-3-yl)propanoate

Systemtic Name: [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl] 3-(2-oxidanylidene-1,3-thiazolidin-3-yl)propanoate Openeye Name: [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxo-ethyl] 3-(2-oxothiazolidin-3-yl)propanoate CAS Name: 3-(2-oxo-3-thiazolidinyl)propanoic 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] 3-(2-oxo-1,3-thiazolidin-3-yl)propanoate Traditional Name: 3-(2-ketothiazolidin-3-yl)propionic acid [2-keto-2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethyl] ester Formula: C18H22N2O4S2 MolecularWeight: 394.50828

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)COC(=O)CCN3CCSC3=O

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)COC(=O)CCN3CCSC3=O

InChI

InChI=1S/C18H22N2O4S2/c1-13-6-9-20(14-4-2-3-5-15(14)26-13)16(21)12-24-17(22)7-8-19-10-11-25-18(19)23/h2-5,13H,6-12H2,1H3