7-[3-[3-methoxy-2-prop-2-enyl-4-(1,3-thiazol-4-yl)phenoxy]propoxy]-8-propyl-3,4-dihydro-2H-chromene-2-carboxylic acid

Systemtic Name: 7-[3-[3-methoxy-2-prop-2-enyl-4-(1,3-thiazol-4-yl)phenoxy]propoxy]-8-propyl-3,4-dihydro-2H-chromene-2-carboxylic acid Openeye Name: 7-[3-(2-allyl-3-methoxy-4-thiazol-4-yl-phenoxy)propoxy]-8-propyl-chromane-2-carboxylic acid CAS Name: 7-[3-[3-methoxy-2-prop-2-enyl-4-(4-thiazolyl)phenoxy]propoxy]-8-propyl-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid IUPAC Name: 7-[3-[3-methoxy-2-prop-2-enyl-4-(1,3-thiazol-4-yl)phenoxy]propoxy]-8-propyl-3,4-dihydro-2H-chromene-2-carboxylic acid Traditional Name: 7-[3-(2-allyl-3-methoxy-4-thiazol-4-yl-phenoxy)propoxy]-8-propyl-chroman-2-carboxylic acid Formula: C29H33NO6S MolecularWeight: 523.64042

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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)C4=CSC=N4)OC)CC=C

Isomeric SMILES

CCCC1=C(C=CC2=C1OC(CC2)C(=O)O)OCCCOC3=C(C(=C(C=C3)C4=CSC=N4)OC)CC=C

InChI

InChI=1S/C29H33NO6S/c1-4-7-21-24(12-9-19-10-13-26(29(31)32)36-27(19)21)34-15-6-16-35-25-14-11-20(23-17-37-18-30-23)28(33-3)22(25)8-5-2/h5,9,11-12,14,17-18,26H,2,4,6-8,10,13,15-16H2,1,3H3,(H,31,32)