[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-(1-bromanylnaphthalen-2-yl)sulfanylethanoate

Systemtic Name: [2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-(1-bromanylnaphthalen-2-yl)sulfanylethanoate Openeye Name: [2-(4-cyanoanilino)-2-oxo-ethyl] 2-[(1-bromo-2-naphthyl)sulfanyl]acetate CAS Name: 2-[(1-bromo-2-naphthalenyl)thio]acetic acid [2-(4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-cyanoanilino)-2-oxoethyl] 2-(1-bromonaphthalen-2-yl)sulfanylacetate Traditional Name: 2-[(1-bromo-2-naphthyl)thio]acetic acid [2-(4-cyanoanilino)-2-keto-ethyl] ester Formula: C21H15BrN2O3S MolecularWeight: 455.3244

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=C2Br)SCC(=O)OCC(=O)NC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=C2Br)SCC(=O)OCC(=O)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H15BrN2O3S/c22-21-17-4-2-1-3-15(17)7-10-18(21)28-13-20(26)27-12-19(25)24-16-8-5-14(11-23)6-9-16/h1-10H,12-13H2,(H,24,25)