[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxidanylidene-ethyl] 2-(4-bromophenyl)sulfanylethanoate

Systemtic Name: [2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxidanylidene-ethyl] 2-(4-bromophenyl)sulfanylethanoate Openeye Name: [2-(chroman-4-ylamino)-2-oxo-ethyl] 2-(4-bromophenyl)sulfanylacetate CAS Name: 2-[(4-bromophenyl)thio]acetic 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] 2-(4-bromophenyl)sulfanylacetate Traditional Name: 2-[(4-bromophenyl)thio]acetic acid [2-(chroman-4-ylamino)-2-keto-ethyl] ester Formula: C19H18BrNO4S MolecularWeight: 436.31952

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC=C2C1NC(=O)COC(=O)CSC3=CC=C(C=C3)Br

Isomeric SMILES

C1COC2=CC=CC=C2C1NC(=O)COC(=O)CSC3=CC=C(C=C3)Br

InChI

InChI=1S/C19H18BrNO4S/c20-13-5-7-14(8-6-13)26-12-19(23)25-11-18(22)21-16-9-10-24-17-4-2-1-3-15(16)17/h1-8,16H,9-12H2,(H,21,22)