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

Systemtic Name: [2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxidanylidene-ethyl] 2-(2-aminocarbonylphenoxy)ethanoate Openeye Name: [2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxo-ethyl] 2-(2-carbamoylphenoxy)acetate CAS Name: 2-(2-carbamoylphenoxy)acetic 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] 2-(2-carbamoylphenoxy)acetate Traditional Name: 2-(2-carbamoylphenoxy)acetic acid [2-keto-2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethyl] ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)COC(=O)COC3=CC=CC=C3C(=O)N

Isomeric SMILES

C[C@H]1CCN(C2=CC=CC=C2S1)C(=O)COC(=O)COC3=CC=CC=C3C(=O)N

InChI

InChI=1S/C21H22N2O5S/c1-14-10-11-23(16-7-3-5-9-18(16)29-14)19(24)12-28-20(25)13-27-17-8-4-2-6-15(17)21(22)26/h2-9,14H,10-13H2,1H3,(H2,22,26)/t14-/m0/s1