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

Systemtic Name: 3-[(7S)-7-(2-methoxyphenyl)-1,4-thiazepan-5-ylidene]-6-methyl-pyran-2,4-dione Openeye Name: 3-[(7S)-7-(2-methoxyphenyl)-1,4-thiazepan-5-ylidene]-6-methyl-pyran-2,4-dione CAS Name: 3-[(7S)-7-(2-methoxyphenyl)-1,4-thiazepan-5-ylidene]-6-methylpyran-2,4-dione IUPAC Name: 3-[(7S)-7-(2-methoxyphenyl)-1,4-thiazepan-5-ylidene]-6-methylpyran-2,4-dione Traditional Name: 3-[(7S)-7-(2-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=C3OC)C(=O)O1

Isomeric SMILES

CC1=CC(=O)C(=C2C[C@H](SCCN2)C3=CC=CC=C3OC)C(=O)O1

InChI

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