[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxidanylidene-ethyl] 1-phenylcyclopropane-1-carboxylate

Systemtic Name: [2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxidanylidene-ethyl] 1-phenylcyclopropane-1-carboxylate Openeye Name: [2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxo-ethyl] 1-phenylcyclopropanecarboxylate CAS Name: 1-phenyl-1-cyclopropanecarboxylic acid [2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxoethyl] ester IUPAC Name: [2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate Traditional Name: 1-phenylcyclopropanecarboxylic acid [2-keto-2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethyl] ester Formula: C22H23NO3S MolecularWeight: 381.48792

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)COC(=O)C3(CC3)C4=CC=CC=C4

Isomeric SMILES

C[C@H]1CCN(C2=CC=CC=C2S1)C(=O)COC(=O)C3(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H23NO3S/c1-16-11-14-23(18-9-5-6-10-19(18)27-16)20(24)15-26-21(25)22(12-13-22)17-7-3-2-4-8-17/h2-10,16H,11-15H2,1H3/t16-/m0/s1