methyl 7-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propoxy]-4-oxidanylidene-8-propyl-thiochromene-2-carboxylate

Systemtic Name: methyl 7-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propoxy]-4-oxidanylidene-8-propyl-thiochromene-2-carboxylate Openeye Name: methyl 7-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propoxy]-4-oxo-8-propyl-thiochromene-2-carboxylate CAS Name: 7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-4-oxo-8-propyl-1-benzothiopyran-2-carboxylic acid methyl ester IUPAC Name: methyl 7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-4-oxo-8-propylthiochromene-2-carboxylate Traditional Name: 7-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propoxy]-4-keto-8-propyl-thiochromene-2-carboxylic acid methyl ester Formula: C28H32O7S MolecularWeight: 512.61448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCOC2=C(C3=C(C=C2)C(=O)C=C(S3)C(=O)OC)CCC

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCOC2=C(C3=C(C=C2)C(=O)C=C(S3)C(=O)OC)CCC

InChI

InChI=1S/C28H32O7S/c1-5-8-20-23(12-10-18(17(3)29)26(20)31)34-14-7-15-35-24-13-11-19-22(30)16-25(28(32)33-4)36-27(19)21(24)9-6-2/h10-13,16,31H,5-9,14-15H2,1-4H3