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

Systemtic Name: [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl] 2-methyl-2-phenyl-propanoate Openeye Name: [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxo-ethyl] 2-methyl-2-phenyl-propanoate CAS Name: 2-methyl-2-phenylpropanoic 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] 2-methyl-2-phenylpropanoate Traditional Name: 2-methyl-2-phenyl-propionic acid [2-keto-2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethyl] ester Formula: C22H25NO3S MolecularWeight: 383.5038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO3S/c1-16-13-14-23(18-11-7-8-12-19(18)27-16)20(24)15-26-21(25)22(2,3)17-9-5-4-6-10-17/h4-12,16H,13-15H2,1-3H3