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

Systemtic Name: 3-[(7S)-7-(5-methoxy-2-oxidanyl-phenyl)-1,4-thiazepan-5-ylidene]-6-methyl-pyran-2,4-dione Openeye Name: 3-[(7S)-7-(2-hydroxy-5-methoxy-phenyl)-1,4-thiazepan-5-ylidene]-6-methyl-pyran-2,4-dione CAS Name: 3-[(7S)-7-(2-hydroxy-5-methoxyphenyl)-1,4-thiazepan-5-ylidene]-6-methylpyran-2,4-dione IUPAC Name: 3-[(7S)-7-(2-hydroxy-5-methoxyphenyl)-1,4-thiazepan-5-ylidene]-6-methylpyran-2,4-dione Traditional Name: 3-[(7S)-7-(2-hydroxy-5-methoxy-phenyl)-1,4-thiazepan-5-ylidene]-6-methyl-pyran-2,4-quinone Formula: C18H19NO5S MolecularWeight: 361.41216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO5S/c1-10-7-15(21)17(18(22)24-10)13-9-16(25-6-5-19-13)12-8-11(23-2)3-4-14(12)20/h3-4,7-8,16,19-20H,5-6,9H2,1-2H3/t16-/m0/s1