[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 2-(4-bromophenyl)sulfanylethanoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 2-(4-bromophenyl)sulfanylethanoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] 2-(4-bromophenyl)sulfanylacetate CAS Name: 2-[(4-bromophenyl)thio]acetic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-(4-bromophenyl)sulfanylacetate Traditional Name: 2-[(4-bromophenyl)thio]acetic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C17H14BrNO5S MolecularWeight: 424.26576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)CSC3=CC=C(C=C3)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)CSC3=CC=C(C=C3)Br

InChI

InChI=1S/C17H14BrNO5S/c18-11-1-4-13(5-2-11)25-9-17(21)22-8-16(20)19-12-3-6-14-15(7-12)24-10-23-14/h1-7H,8-10H2,(H,19,20)