[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxidanylidene-ethyl] 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate

Systemtic Name: [2-[methyl(thiophen-3-ylmethyl)amino]-2-oxidanylidene-ethyl] 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate Openeye Name: [2-[methyl(3-thienylmethyl)amino]-2-oxo-ethyl] 2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]acetic acid [2-[methyl(3-thiophenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] 2-(4-bromo-2,5-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetic acid [2-keto-2-[methyl(3-thenyl)amino]ethyl] ester Formula: C18H20BrNO3S2 MolecularWeight: 442.3903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)OCC(=O)N(C)CC2=CSC=C2

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)OCC(=O)N(C)CC2=CSC=C2

InChI

InChI=1S/C18H20BrNO3S2/c1-12-7-16(13(2)6-15(12)19)25-11-18(22)23-9-17(21)20(3)8-14-4-5-24-10-14/h4-7,10H,8-9,11H2,1-3H3