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

Systemtic Name: 3-[(7S)-7-(3-methoxyphenyl)-1,4-thiazepan-5-ylidene]-6-methyl-pyran-2,4-dione Openeye Name: 3-[(7S)-7-(3-methoxyphenyl)-1,4-thiazepan-5-ylidene]-6-methyl-pyran-2,4-dione CAS Name: 3-[(7S)-7-(3-methoxyphenyl)-1,4-thiazepan-5-ylidene]-6-methylpyran-2,4-dione IUPAC Name: 3-[(7S)-7-(3-methoxyphenyl)-1,4-thiazepan-5-ylidene]-6-methylpyran-2,4-dione Traditional Name: 3-[(7S)-7-(3-methoxyphenyl)-1,4-thiazepan-5-ylidene]-6-methyl-pyran-2,4-quinone Formula: C18H19NO4S MolecularWeight: 345.41276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO4S/c1-11-8-15(20)17(18(21)23-11)14-10-16(24-7-6-19-14)12-4-3-5-13(9-12)22-2/h3-5,8-9,16,19H,6-7,10H2,1-2H3/t16-/m0/s1