N-(1,3-benzodioxol-5-ylmethyl)-2-[(2S)-2-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2S)-2-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2S)-2-methyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2S)-2-methyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2S)-2-methyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide Traditional Name: 2-[(2S)-4-keto-2-methyl-2,3-dihydro-1,5-benzothiazepin-5-yl]-N-piperonyl-acetamide Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)N(C2=CC=CC=C2S1)CC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[C@H]1CC(=O)N(C2=CC=CC=C2S1)CC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H20N2O4S/c1-13-8-20(24)22(15-4-2-3-5-18(15)27-13)11-19(23)21-10-14-6-7-16-17(9-14)26-12-25-16/h2-7,9,13H,8,10-12H2,1H3,(H,21,23)/t13-/m0/s1