3-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl]-1-(phenylmethyl)pyrimidine-2,4-dione

Systemtic Name: 3-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl]-1-(phenylmethyl)pyrimidine-2,4-dione Openeye Name: 1-benzyl-3-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxo-ethyl]pyrimidine-2,4-dione CAS Name: 3-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl]-1-(phenylmethyl)pyrimidine-2,4-dione IUPAC Name: 1-benzyl-3-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl]pyrimidine-2,4-dione Traditional Name: 1-benzyl-3-[2-keto-2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethyl]pyrimidine-2,4-quinone Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)CN3C(=O)C=CN(C3=O)CC4=CC=CC=C4

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)CN3C(=O)C=CN(C3=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H23N3O3S/c1-17-11-14-25(19-9-5-6-10-20(19)30-17)22(28)16-26-21(27)12-13-24(23(26)29)15-18-7-3-2-4-8-18/h2-10,12-13,17H,11,14-16H2,1H3