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

Systemtic Name: 3-[(7S)-7-(3-hydroxyphenyl)-1,4-thiazepan-5-ylidene]-6-methyl-pyran-2,4-dione Openeye Name: 3-[(7S)-7-(3-hydroxyphenyl)-1,4-thiazepan-5-ylidene]-6-methyl-pyran-2,4-dione CAS Name: 3-[(7S)-7-(3-hydroxyphenyl)-1,4-thiazepan-5-ylidene]-6-methylpyran-2,4-dione IUPAC Name: 3-[(7S)-7-(3-hydroxyphenyl)-1,4-thiazepan-5-ylidene]-6-methylpyran-2,4-dione Traditional Name: 3-[(7S)-7-(3-hydroxyphenyl)-1,4-thiazepan-5-ylidene]-6-methyl-pyran-2,4-quinone Formula: C17H17NO4S MolecularWeight: 331.38618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO4S/c1-10-7-14(20)16(17(21)22-10)13-9-15(23-6-5-18-13)11-3-2-4-12(19)8-11/h2-4,7-8,15,18-19H,5-6,9H2,1H3/t15-/m0/s1