[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)sulfanylpropanoate

Systemtic Name: [2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)sulfanylpropanoate Openeye Name: [2-(chroman-4-ylamino)-2-oxo-ethyl] 3-(4-fluorophenyl)sulfanylpropanoate CAS Name: 3-[(4-fluorophenyl)thio]propanoic acid [2-(3,4-dihydro-2H-1-benzopyran-4-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-fluorophenyl)thio]propionic acid [2-(chroman-4-ylamino)-2-keto-ethyl] ester Formula: C20H20FNO4S MolecularWeight: 389.440503

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC=C2C1NC(=O)COC(=O)CCSC3=CC=C(C=C3)F

Isomeric SMILES

C1COC2=CC=CC=C2C1NC(=O)COC(=O)CCSC3=CC=C(C=C3)F

InChI

InChI=1S/C20H20FNO4S/c21-14-5-7-15(8-6-14)27-12-10-20(24)26-13-19(23)22-17-9-11-25-18-4-2-1-3-16(17)18/h1-8,17H,9-13H2,(H,22,23)