methyl 5-[10,10-bis(oxidanylidene)phenoxathiin-2-yl]-3-(3-cyclopentyloxy-4-methoxy-phenyl)pent-4-ynoate

Systemtic Name: methyl 5-[10,10-bis(oxidanylidene)phenoxathiin-2-yl]-3-(3-cyclopentyloxy-4-methoxy-phenyl)pent-4-ynoate Openeye Name: methyl 3-[3-(cyclopentoxy)-4-methoxy-phenyl]-5-(10,10-dioxophenoxathiin-2-yl)pent-4-ynoate CAS Name: 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-(10,10-dioxo-2-phenoxathiinyl)-4-pentynoic acid methyl ester IUPAC Name: methyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-5-(10,10-dioxophenoxathiin-2-yl)pent-4-ynoate Traditional Name: 3-[3-(cyclopentoxy)-4-methoxy-phenyl]-5-(10,10-diketophenoxathiin-2-yl)pent-4-ynoic acid methyl ester Formula: C30H28O7S MolecularWeight: 532.60412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC(=O)OC)C#CC2=CC3=C(C=C2)OC4=CC=CC=C4S3(=O)=O)OC5CCCC5

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC(=O)OC)C#CC2=CC3=C(C=C2)OC4=CC=CC=C4S3(=O)=O)OC5CCCC5

InChI

InChI=1S/C30H28O7S/c1-34-24-16-14-21(18-27(24)36-23-7-3-4-8-23)22(19-30(31)35-2)13-11-20-12-15-26-29(17-20)38(32,33)28-10-6-5-9-25(28)37-26/h5-6,9-10,12,14-18,22-23H,3-4,7-8,19H2,1-2H3