N-(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)-3,4-dimethoxy-5-[(E)-prop-1-enyl]benzamide

Systemtic Name: N-(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)-3,4-dimethoxy-5-[(E)-prop-1-enyl]benzamide Openeye Name: N-(6-fluorothiochroman-4-yl)-3,4-dimethoxy-5-[(E)-prop-1-enyl]benzamide CAS Name: N-(6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-3,4-dimethoxy-5-[(E)-prop-1-enyl]benzamide IUPAC Name: N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3,4-dimethoxy-5-[(E)-prop-1-enyl]benzamide Traditional Name: N-(6-fluorothiochroman-4-yl)-3,4-dimethoxy-5-[(E)-prop-1-enyl]benzamide Formula: C21H22FNO3S MolecularWeight: 387.467683

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC1=C(C(=CC(=C1)C(=O)NC2CCSC3=C2C=C(C=C3)F)OC)OC

Isomeric SMILES

C/C=C/C1=C(C(=CC(=C1)C(=O)NC2CCSC3=C2C=C(C=C3)F)OC)OC

InChI

InChI=1S/C21H22FNO3S/c1-4-5-13-10-14(11-18(25-2)20(13)26-3)21(24)23-17-8-9-27-19-7-6-15(22)12-16(17)19/h4-7,10-12,17H,8-9H2,1-3H3,(H,23,24)/b5-4+