[3-(6-sulfanylidenecyclohexa-1,3-dien-1-yl)oxyphenyl]methyl 2-propan-2-ylpent-4-ynoate

Systemtic Name: [3-(6-sulfanylidenecyclohexa-1,3-dien-1-yl)oxyphenyl]methyl 2-propan-2-ylpent-4-ynoate Openeye Name: [3-(6-thioxocyclohexa-1,3-dien-1-yl)oxyphenyl]methyl 2-isopropylpent-4-ynoate CAS Name: 2-propan-2-yl-4-pentynoic acid [3-[(6-sulfanylidene-1-cyclohexa-1,3-dienyl)oxy]phenyl]methyl ester IUPAC Name: [3-(6-sulfanylidenecyclohexa-1,3-dien-1-yl)oxyphenyl]methyl 2-propan-2-ylpent-4-ynoate Traditional Name: 2-isopropylpent-4-ynoic acid [3-(6-thioxocyclohexa-1,3-dien-1-yl)oxybenzyl] ester Formula: C21H22O3S MolecularWeight: 354.46258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC#C)C(=O)OCC1=CC(=CC=C1)OC2=CC=CCC2=S

Isomeric SMILES

CC(C)C(CC#C)C(=O)OCC1=CC(=CC=C1)OC2=CC=CCC2=S

InChI

InChI=1S/C21H22O3S/c1-4-8-18(15(2)3)21(22)23-14-16-9-7-10-17(13-16)24-19-11-5-6-12-20(19)25/h1,5-7,9-11,13,15,18H,8,12,14H2,2-3H3