(4S)-1-[(4S)-2,2-dimethylthian-4-yl]-4-(phenylmethyl)pyrazolidine-3,5-dione

Systemtic Name: (4S)-1-[(4S)-2,2-dimethylthian-4-yl]-4-(phenylmethyl)pyrazolidine-3,5-dione Openeye Name: (4S)-4-benzyl-1-[(4S)-2,2-dimethyltetrahydrothiopyran-4-yl]pyrazolidine-3,5-dione CAS Name: (4S)-1-[(4S)-2,2-dimethyl-4-thianyl]-4-(phenylmethyl)pyrazolidine-3,5-dione IUPAC Name: (4S)-4-benzyl-1-[(4S)-2,2-dimethylthian-4-yl]pyrazolidine-3,5-dione Traditional Name: (4S)-4-benzyl-1-[(4S)-2,2-dimethyltetrahydrothiopyran-4-yl]pyrazolidine-3,5-quinone Formula: C17H22N2O2S MolecularWeight: 318.43378

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CCS1)N2C(=O)C(C(=O)N2)CC3=CC=CC=C3)C

Isomeric SMILES

CC1(C[C@H](CCS1)N2C(=O)[C@H](C(=O)N2)CC3=CC=CC=C3)C

InChI

InChI=1S/C17H22N2O2S/c1-17(2)11-13(8-9-22-17)19-16(21)14(15(20)18-19)10-12-6-4-3-5-7-12/h3-7,13-14H,8-11H2,1-2H3,(H,18,20)/t13-,14-/m0/s1