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

Systemtic Name: N-(4-butylphenyl)-2-[(2S)-2-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanamide Openeye Name: N-(4-butylphenyl)-2-[(2S)-2-methyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide CAS Name: N-(4-butylphenyl)-2-[(2S)-2-methyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide IUPAC Name: N-(4-butylphenyl)-2-[(2S)-2-methyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide Traditional Name: N-(4-butylphenyl)-2-[(2S)-4-keto-2-methyl-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide Formula: C22H26N2O2S MolecularWeight: 382.51904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CN2C(=O)CC(SC3=CC=CC=C32)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CN2C(=O)C[C@@H](SC3=CC=CC=C32)C

InChI

InChI=1S/C22H26N2O2S/c1-3-4-7-17-10-12-18(13-11-17)23-21(25)15-24-19-8-5-6-9-20(19)27-16(2)14-22(24)26/h5-6,8-13,16H,3-4,7,14-15H2,1-2H3,(H,23,25)/t16-/m0/s1