[4-[3-cyano-4-[3-(ethylamino)-2-oxidanyl-propoxy]-5-propyl-6-sulfanylidene-cyclohexa-2,4-dien-1-yl]phenyl] ethanoate

Systemtic Name: [4-[3-cyano-4-[3-(ethylamino)-2-oxidanyl-propoxy]-5-propyl-6-sulfanylidene-cyclohexa-2,4-dien-1-yl]phenyl] ethanoate Openeye Name: [4-[3-cyano-4-[3-(ethylamino)-2-hydroxy-propoxy]-5-propyl-6-thioxo-cyclohexa-2,4-dien-1-yl]phenyl] acetate CAS Name: acetic acid [4-[3-cyano-4-[3-(ethylamino)-2-hydroxypropoxy]-5-propyl-6-sulfanylidene-1-cyclohexa-2,4-dienyl]phenyl] ester IUPAC Name: [4-[3-cyano-4-[3-(ethylamino)-2-hydroxypropoxy]-5-propyl-6-sulfanylidenecyclohexa-2,4-dien-1-yl]phenyl] acetate Traditional Name: acetic acid [4-[3-cyano-4-[3-(ethylamino)-2-hydroxy-propoxy]-5-propyl-6-thioxo-cyclohexa-2,4-dien-1-yl]phenyl] ester Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=CC(C1=S)C2=CC=C(C=C2)OC(=O)C)C#N)OCC(CNCC)O

Isomeric SMILES

CCCC1=C(C(=CC(C1=S)C2=CC=C(C=C2)OC(=O)C)C#N)OCC(CNCC)O

InChI

InChI=1S/C23H28N2O4S/c1-4-6-20-22(28-14-18(27)13-25-5-2)17(12-24)11-21(23(20)30)16-7-9-19(10-8-16)29-15(3)26/h7-11,18,21,25,27H,4-6,13-14H2,1-3H3