methyl (E)-3-[(2Z)-2-[(4-hexoxyphenyl)methylidene]-3-oxidanylidene-1-benzothiophen-5-yl]prop-2-enoate

Systemtic Name: methyl (E)-3-[(2Z)-2-[(4-hexoxyphenyl)methylidene]-3-oxidanylidene-1-benzothiophen-5-yl]prop-2-enoate Openeye Name: methyl (E)-3-[(2Z)-2-[(4-hexoxyphenyl)methylene]-3-oxo-benzothiophen-5-yl]prop-2-enoate CAS Name: (E)-3-[(2Z)-2-[(4-hexoxyphenyl)methylidene]-3-oxo-1-benzothiophen-5-yl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[(2Z)-2-[(4-hexoxyphenyl)methylidene]-3-oxo-1-benzothiophen-5-yl]prop-2-enoate Traditional Name: (E)-3-[(2Z)-2-(4-hexoxybenzylidene)-3-keto-benzothiophen-5-yl]acrylic acid methyl ester Formula: C25H26O4S MolecularWeight: 422.53654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C=C2C(=O)C3=C(S2)C=CC(=C3)C=CC(=O)OC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)/C=C\2/C(=O)C3=C(S2)C=CC(=C3)/C=C/C(=O)OC

InChI

InChI=1S/C25H26O4S/c1-3-4-5-6-15-29-20-11-7-19(8-12-20)17-23-25(27)21-16-18(9-13-22(21)30-23)10-14-24(26)28-2/h7-14,16-17H,3-6,15H2,1-2H3/b14-10+,23-17-