(phenylmethyl) 2-[1-(4-bromophenyl)-4-(2-oxidanylidenechromen-3-yl)imidazol-2-yl]sulfanylethanoate

Systemtic Name: (phenylmethyl) 2-[1-(4-bromophenyl)-4-(2-oxidanylidenechromen-3-yl)imidazol-2-yl]sulfanylethanoate Openeye Name: benzyl 2-[1-(4-bromophenyl)-4-(2-oxochromen-3-yl)imidazol-2-yl]sulfanylacetate CAS Name: 2-[[1-(4-bromophenyl)-4-(2-oxo-1-benzopyran-3-yl)-2-imidazolyl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[1-(4-bromophenyl)-4-(2-oxochromen-3-yl)imidazol-2-yl]sulfanylacetate Traditional Name: 2-[[1-(4-bromophenyl)-4-(2-ketochromen-3-yl)imidazol-2-yl]thio]acetic acid benzyl ester Formula: C27H19BrN2O4S MolecularWeight: 547.41976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CSC2=NC(=CN2C3=CC=C(C=C3)Br)C4=CC5=CC=CC=C5OC4=O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CSC2=NC(=CN2C3=CC=C(C=C3)Br)C4=CC5=CC=CC=C5OC4=O

InChI

InChI=1S/C27H19BrN2O4S/c28-20-10-12-21(13-11-20)30-15-23(22-14-19-8-4-5-9-24(19)34-26(22)32)29-27(30)35-17-25(31)33-16-18-6-2-1-3-7-18/h1-15H,16-17H2