7-[3-[3-methoxy-2-propyl-4-(2-thiocyanatoethanoyl)phenoxy]propoxy]-8-propyl-3,4-dihydro-2H-chromene-2-carboxylate

Systemtic Name: 7-[3-[3-methoxy-2-propyl-4-(2-thiocyanatoethanoyl)phenoxy]propoxy]-8-propyl-3,4-dihydro-2H-chromene-2-carboxylate Openeye Name: 7-[3-[3-methoxy-2-propyl-4-(2-thiocyanatoacetyl)phenoxy]propoxy]-8-propyl-chromane-2-carboxylate CAS Name: 7-[3-[3-methoxy-4-(1-oxo-2-thiocyanatoethyl)-2-propylphenoxy]propoxy]-8-propyl-3,4-dihydro-2H-1-benzopyran-2-carboxylate IUPAC Name: 7-[3-[3-methoxy-2-propyl-4-(2-thiocyanatoacetyl)phenoxy]propoxy]-8-propyl-3,4-dihydro-2H-chromene-2-carboxylate Traditional Name: 7-[3-[3-methoxy-2-propyl-4-(2-thiocyanatoacetyl)phenoxy]propoxy]-8-propyl-chroman-2-carboxylate Formula: C29H34NO7S- MolecularWeight: 540.64776

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1OC(CC2)C(=O)[O-])OCCCOC3=C(C(=C(C=C3)C(=O)CSC#N)OC)CCC

Isomeric SMILES

CCCC1=C(C=CC2=C1OC(CC2)C(=O)[O-])OCCCOC3=C(C(=C(C=C3)C(=O)CSC#N)OC)CCC

InChI

InChI=1S/C29H35NO7S/c1-4-7-21-24(12-9-19-10-13-26(29(32)33)37-27(19)21)35-15-6-16-36-25-14-11-20(23(31)17-38-18-30)28(34-3)22(25)8-5-2/h9,11-12,14,26H,4-8,10,13,15-17H2,1-3H3,(H,32,33)/p-1