[1-(4-ethylphenyl)-2-[2-(3-methoxy-4-prop-2-ynoxy-phenyl)ethylamino]-2-sulfanylidene-ethyl] ethanoate

Systemtic Name: [1-(4-ethylphenyl)-2-[2-(3-methoxy-4-prop-2-ynoxy-phenyl)ethylamino]-2-sulfanylidene-ethyl] ethanoate Openeye Name: [1-(4-ethylphenyl)-2-[2-(3-methoxy-4-prop-2-ynoxy-phenyl)ethylamino]-2-thioxo-ethyl] acetate CAS Name: acetic acid [1-(4-ethylphenyl)-2-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethylamino]-2-sulfanylideneethyl] ester IUPAC Name: [1-(4-ethylphenyl)-2-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethylamino]-2-sulfanylideneethyl] acetate Traditional Name: acetic acid [1-(4-ethylphenyl)-2-[2-(3-methoxy-4-propargyloxy-phenyl)ethylamino]-2-thioxo-ethyl] ester Formula: C24H27NO4S MolecularWeight: 425.54048

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C(=S)NCCC2=CC(=C(C=C2)OCC#C)OC)OC(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(C(=S)NCCC2=CC(=C(C=C2)OCC#C)OC)OC(=O)C

InChI

InChI=1S/C24H27NO4S/c1-5-15-28-21-12-9-19(16-22(21)27-4)13-14-25-24(30)23(29-17(3)26)20-10-7-18(6-2)8-11-20/h1,7-12,16,23H,6,13-15H2,2-4H3,(H,25,30)