[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 2-(4-bromo-2-methyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2-methylphenyl)thio]acetic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-(4-bromo-2-methylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]acetic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C16H13BrN2O3S2 MolecularWeight: 425.32002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)OCC(=O)NC2=C(C=CS2)C#N

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)OCC(=O)NC2=C(C=CS2)C#N

InChI

InChI=1S/C16H13BrN2O3S2/c1-10-6-12(17)2-3-13(10)24-9-15(21)22-8-14(20)19-16-11(7-18)4-5-23-16/h2-6H,8-9H2,1H3,(H,19,20)