[7-(ethoxycarbonylamino)-2-oxidanylidene-chromen-4-yl]methyl 2-(4-bromophenyl)sulfanylethanoate

Systemtic Name: [7-(ethoxycarbonylamino)-2-oxidanylidene-chromen-4-yl]methyl 2-(4-bromophenyl)sulfanylethanoate Openeye Name: [7-(ethoxycarbonylamino)-2-oxo-chromen-4-yl]methyl 2-(4-bromophenyl)sulfanylacetate CAS Name: 2-[(4-bromophenyl)thio]acetic acid [7-(ethoxycarbonylamino)-2-oxo-1-benzopyran-4-yl]methyl ester IUPAC Name: [7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 2-(4-bromophenyl)sulfanylacetate Traditional Name: 2-[(4-bromophenyl)thio]acetic acid [7-(carbethoxyamino)-2-keto-chromen-4-yl]methyl ester Formula: C21H18BrNO6S MolecularWeight: 492.33972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CSC3=CC=C(C=C3)Br

Isomeric SMILES

CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CSC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H18BrNO6S/c1-2-27-21(26)23-15-5-8-17-13(9-19(24)29-18(17)10-15)11-28-20(25)12-30-16-6-3-14(22)4-7-16/h3-10H,2,11-12H2,1H3,(H,23,26)