(3Z)-3-[7-(5-ethylthiophen-2-yl)-1,4-thiazepan-5-ylidene]-6-methyl-pyran-2,4-dione

Systemtic Name: (3Z)-3-[7-(5-ethylthiophen-2-yl)-1,4-thiazepan-5-ylidene]-6-methyl-pyran-2,4-dione Openeye Name: (3Z)-3-[7-(5-ethyl-2-thienyl)-1,4-thiazepan-5-ylidene]-6-methyl-pyran-2,4-dione CAS Name: (3Z)-3-[7-(5-ethyl-2-thiophenyl)-1,4-thiazepan-5-ylidene]-6-methylpyran-2,4-dione IUPAC Name: (3Z)-3-[7-(5-ethylthiophen-2-yl)-1,4-thiazepan-5-ylidene]-6-methylpyran-2,4-dione Traditional Name: (3Z)-3-[7-(5-ethyl-2-thienyl)-1,4-thiazepan-5-ylidene]-6-methyl-pyran-2,4-quinone Formula: C17H19NO3S2 MolecularWeight: 349.46766

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C2CC(=C3C(=O)C=C(OC3=O)C)NCCS2

Isomeric SMILES

CCC1=CC=C(S1)C2C/C(=C/3\C(=O)C=C(OC3=O)C)/NCCS2

InChI

InChI=1S/C17H19NO3S2/c1-3-11-4-5-14(23-11)15-9-12(18-6-7-22-15)16-13(19)8-10(2)21-17(16)20/h4-5,8,15,18H,3,6-7,9H2,1-2H3/b16-12-