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

Systemtic Name: methyl 7-[3-[3-methoxy-2-propyl-4-(2-thiocyanatoethanoyl)phenoxy]propoxy]-8-propyl-3,4-dihydro-2H-chromene-2-carboxylate Openeye Name: methyl 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-carboxylic acid methyl ester IUPAC Name: methyl 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-carboxylic acid methyl ester Formula: C30H37NO7S MolecularWeight: 555.68228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H37NO7S/c1-5-8-22-25(13-10-20-11-14-27(30(33)35-4)38-28(20)22)36-16-7-17-37-26-15-12-21(24(32)18-39-19-31)29(34-3)23(26)9-6-2/h10,12-13,15,27H,5-9,11,14,16-18H2,1-4H3