[1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate

Systemtic Name: [1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate Openeye Name: [1-methyl-2-oxo-2-(2-thienylmethylamino)ethyl] 2-(4-bromo-2-methyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2-methylphenyl)thio]acetic acid [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-(4-bromo-2-methylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]acetic acid [2-keto-1-methyl-2-(2-thenylamino)ethyl] ester Formula: C17H18BrNO3S2 MolecularWeight: 428.36372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)OC(C)C(=O)NCC2=CC=CS2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)OC(C)C(=O)NCC2=CC=CS2

InChI

InChI=1S/C17H18BrNO3S2/c1-11-8-13(18)5-6-15(11)24-10-16(20)22-12(2)17(21)19-9-14-4-3-7-23-14/h3-8,12H,9-10H2,1-2H3,(H,19,21)