N,N-dimethyl-2-[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzoxazole-5-sulfonamide

Systemtic Name: N,N-dimethyl-2-[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzoxazole-5-sulfonamide Openeye Name: N,N-dimethyl-2-[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxo-ethyl]sulfanyl-1,3-benzoxazole-5-sulfonamide CAS Name: N,N-dimethyl-2-[[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxoethyl]thio]-1,3-benzoxazole-5-sulfonamide IUPAC Name: N,N-dimethyl-2-[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxoethyl]sulfanyl-1,3-benzoxazole-5-sulfonamide Traditional Name: 2-[[2-keto-2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethyl]thio]-N,N-dimethyl-1,3-benzoxazole-5-sulfonamide Formula: C21H23N3O4S3 MolecularWeight: 477.62002

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)CSC3=NC4=C(O3)C=CC(=C4)S(=O)(=O)N(C)C

Isomeric SMILES

C[C@H]1CCN(C2=CC=CC=C2S1)C(=O)CSC3=NC4=C(O3)C=CC(=C4)S(=O)(=O)N(C)C

InChI

InChI=1S/C21H23N3O4S3/c1-14-10-11-24(17-6-4-5-7-19(17)30-14)20(25)13-29-21-22-16-12-15(8-9-18(16)28-21)31(26,27)23(2)3/h4-9,12,14H,10-11,13H2,1-3H3/t14-/m0/s1