2-[(2R)-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[(2R)-2-(4-methoxyphenyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[(2R)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide CAS Name: 2-[(2R)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[(2R)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide Traditional Name: N-benzyl-2-[(2R)-4-keto-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide Formula: C25H24N2O3S MolecularWeight: 432.53466

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=O)N(C3=CC=CC=C3S2)CC(=O)NCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CC(=O)N(C3=CC=CC=C3S2)CC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C25H24N2O3S/c1-30-20-13-11-19(12-14-20)23-15-25(29)27(21-9-5-6-10-22(21)31-23)17-24(28)26-16-18-7-3-2-4-8-18/h2-14,23H,15-17H2,1H3,(H,26,28)/t23-/m1/s1