ethyl (2R,3S)-2-(5-methylthiophen-2-yl)-4-oxidanylidene-5-(3-piperidin-1-ylpropyl)-2,3-dihydro-1,5-benzothiazepine-3-carboxylate

Systemtic Name: ethyl (2R,3S)-2-(5-methylthiophen-2-yl)-4-oxidanylidene-5-(3-piperidin-1-ylpropyl)-2,3-dihydro-1,5-benzothiazepine-3-carboxylate Openeye Name: ethyl (2R,3S)-2-(5-methyl-2-thienyl)-4-oxo-5-[3-(1-piperidyl)propyl]-2,3-dihydro-1,5-benzothiazepine-3-carboxylate CAS Name: (2R,3S)-2-(5-methyl-2-thiophenyl)-4-oxo-5-[3-(1-piperidinyl)propyl]-2,3-dihydro-1,5-benzothiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (2R,3S)-2-(5-methylthiophen-2-yl)-4-oxo-5-(3-piperidin-1-ylpropyl)-2,3-dihydro-1,5-benzothiazepine-3-carboxylate Traditional Name: (2R,3S)-4-keto-2-(5-methyl-2-thienyl)-5-(3-piperidinopropyl)-2,3-dihydro-1,5-benzothiazepine-3-carboxylic acid ethyl ester Formula: C25H32N2O3S2 MolecularWeight: 472.66318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(SC2=CC=CC=C2N(C1=O)CCCN3CCCCC3)C4=CC=C(S4)C

Isomeric SMILES

CCOC(=O)[C@H]1[C@@H](SC2=CC=CC=C2N(C1=O)CCCN3CCCCC3)C4=CC=C(S4)C

InChI

InChI=1S/C25H32N2O3S2/c1-3-30-25(29)22-23(21-13-12-18(2)31-21)32-20-11-6-5-10-19(20)27(24(22)28)17-9-16-26-14-7-4-8-15-26/h5-6,10-13,22-23H,3-4,7-9,14-17H2,1-2H3/t22-,23-/m0/s1