[2-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxidanylidene-ethyl] 4-(diethylamino)benzoate

Systemtic Name: [2-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxidanylidene-ethyl] 4-(diethylamino)benzoate Openeye Name: [2-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxo-ethyl] 4-(diethylamino)benzoate CAS Name: 4-(diethylamino)benzoic acid [2-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxoethyl] ester IUPAC Name: [2-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxoethyl] 4-(diethylamino)benzoate Traditional Name: 4-(diethylamino)benzoic acid [2-keto-2-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethyl] ester Formula: C23H28N2O3S MolecularWeight: 412.54502

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C(=O)OCC(=O)N2CCC(SC3=CC=CC=C32)C

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C(=O)OCC(=O)N2CC[C@H](SC3=CC=CC=C32)C

InChI

InChI=1S/C23H28N2O3S/c1-4-24(5-2)19-12-10-18(11-13-19)23(27)28-16-22(26)25-15-14-17(3)29-21-9-7-6-8-20(21)25/h6-13,17H,4-5,14-16H2,1-3H3/t17-/m1/s1