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

Systemtic Name: 6-methyl-3-[(7S)-7-(4-propan-2-ylphenyl)-1,4-thiazepan-5-ylidene]pyran-2,4-dione Openeye Name: 3-[(7S)-7-(4-isopropylphenyl)-1,4-thiazepan-5-ylidene]-6-methyl-pyran-2,4-dione CAS Name: 6-methyl-3-[(7S)-7-(4-propan-2-ylphenyl)-1,4-thiazepan-5-ylidene]pyran-2,4-dione IUPAC Name: 6-methyl-3-[(7S)-7-(4-propan-2-ylphenyl)-1,4-thiazepan-5-ylidene]pyran-2,4-dione Traditional Name: 6-methyl-3-[(7S)-7-p-cumenyl-1,4-thiazepan-5-ylidene]pyran-2,4-quinone Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO3S/c1-12(2)14-4-6-15(7-5-14)18-11-16(21-8-9-25-18)19-17(22)10-13(3)24-20(19)23/h4-7,10,12,18,21H,8-9,11H2,1-3H3/t18-/m0/s1