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

Systemtic Name: (3E)-3-[7-(4-chloranyl-2-methoxy-phenyl)-1,4-thiazepan-5-ylidene]-6-methyl-pyran-2,4-dione Openeye Name: (3E)-3-[7-(4-chloro-2-methoxy-phenyl)-1,4-thiazepan-5-ylidene]-6-methyl-pyran-2,4-dione CAS Name: (3E)-3-[7-(4-chloro-2-methoxyphenyl)-1,4-thiazepan-5-ylidene]-6-methylpyran-2,4-dione IUPAC Name: (3E)-3-[7-(4-chloro-2-methoxyphenyl)-1,4-thiazepan-5-ylidene]-6-methylpyran-2,4-dione Traditional Name: (3E)-3-[7-(4-chloro-2-methoxy-phenyl)-1,4-thiazepan-5-ylidene]-6-methyl-pyran-2,4-quinone Formula: C18H18ClNO4S MolecularWeight: 379.85782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=O)/C(=C\2/CC(SCCN2)C3=C(C=C(C=C3)Cl)OC)/C(=O)O1

InChI

InChI=1S/C18H18ClNO4S/c1-10-7-14(21)17(18(22)24-10)13-9-16(25-6-5-20-13)12-4-3-11(19)8-15(12)23-2/h3-4,7-8,16,20H,5-6,9H2,1-2H3/b17-13+