3-[(7S)-7-(3,4-dichlorophenyl)-1,4-thiazepan-5-ylidene]-6-methyl-pyran-2,4-dione

Systemtic Name: 3-[(7S)-7-(3,4-dichlorophenyl)-1,4-thiazepan-5-ylidene]-6-methyl-pyran-2,4-dione Openeye Name: 3-[(7S)-7-(3,4-dichlorophenyl)-1,4-thiazepan-5-ylidene]-6-methyl-pyran-2,4-dione CAS Name: 3-[(7S)-7-(3,4-dichlorophenyl)-1,4-thiazepan-5-ylidene]-6-methylpyran-2,4-dione IUPAC Name: 3-[(7S)-7-(3,4-dichlorophenyl)-1,4-thiazepan-5-ylidene]-6-methylpyran-2,4-dione Traditional Name: 3-[(7S)-7-(3,4-dichlorophenyl)-1,4-thiazepan-5-ylidene]-6-methyl-pyran-2,4-quinone Formula: C17H15Cl2NO3S MolecularWeight: 384.2769

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C2CC(SCCN2)C3=CC(=C(C=C3)Cl)Cl)C(=O)O1

Isomeric SMILES

CC1=CC(=O)C(=C2C[C@H](SCCN2)C3=CC(=C(C=C3)Cl)Cl)C(=O)O1

InChI

InChI=1S/C17H15Cl2NO3S/c1-9-6-14(21)16(17(22)23-9)13-8-15(24-5-4-20-13)10-2-3-11(18)12(19)7-10/h2-3,6-7,15,20H,4-5,8H2,1H3/t15-/m0/s1